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Showing metabocard for Aspalathin (HMDB0030851)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (4) Show 4 proteinsXML
enzymes (4) Show 4 proteins
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:39:24 UTC
Update Date2022-03-07 02:52:43 UTC
HMDB IDHMDB0030851
Secondary Accession Numbers
  • HMDB30851
Metabolite Identification
Common NameAspalathin
DescriptionAspalathin belongs to the class of organic compounds known as 2'-hydroxy-dihydrochalcones. These are organic compounds containing dihydrochalcone skeleton that carries a hydroxyl group at the 2'-position. Thus, aspalathin is considered to be a flavonoid. Based on a literature review very few articles have been published on Aspalathin.
Structure
Data?1563862047
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0030851 (Aspalathin)


  Mrv0541 05061305332D          

 32 34  0  0  0  0            999 V2000
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  8  1  1  0  0  0  0
  8  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 11  9  2  0  0  0  0
 12  6  2  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  2  0  0  0  0
 17 14  1  0  0  0  0
 18 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 16  1  0  0  0  0
 21 20  1  0  0  0  0
 22  7  1  0  0  0  0
 23  9  1  0  0  0  0
 24 10  2  0  0  0  0
 25 11  1  0  0  0  0
 26 12  1  0  0  0  0
 27 13  1  0  0  0  0
 28 17  1  0  0  0  0
 29 18  1  0  0  0  0
 30 19  1  0  0  0  0
 31 20  1  0  0  0  0
 32 14  1  0  0  0  0
 32 21  1  0  0  0  0
M  END
Download

3D MOL for HMDB0030851 (Aspalathin)

HMDB0030851
     RDKit          3D
Aspalathin
 56 58  0  0  0  0  0  0  0  0999 V2000
    1.1982    2.5323   -1.2685 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6097    1.3714   -1.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0600    1.1225   -1.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7265    1.2948    0.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1801    1.0431    0.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1133    2.0318   -0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4501    1.7256   -0.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8764    0.4226    0.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2389    0.1093    0.0604 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9794   -0.5685    0.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3965   -1.8950    0.5118 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6177   -0.2604    0.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6203    0.3695   -0.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0763   -0.8933   -0.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4186   -1.2907   -0.4328 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586   -1.8529    0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1468   -1.5367    0.1847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0383   -2.5205    0.5947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6768   -0.2699   -0.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0898   -0.0696    0.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8476   -1.2204   -0.2106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9208   -1.2429    0.6284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8131   -2.4427    0.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8781   -2.3279    1.3442 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7703   -0.0149    0.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7819   -0.1637   -0.3754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0648    1.2755    0.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7523    1.9468    1.6052 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8172    1.0769   -0.4583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4394    0.7030   -1.6961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7467    0.6867   -0.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2117    1.9286   -0.7633 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4819    1.9919   -1.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3305    0.2412   -1.6781 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6169    2.3842    0.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2942    0.7331    1.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8159    3.0559   -0.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2125    2.4785   -0.2575 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9507    0.7966   -0.0951 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7746   -2.6504    0.6751 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9549   -1.0892    0.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7051   -2.2295   -0.2149 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5440   -2.8561    0.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7324   -3.4452    0.8072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2198   -0.0384    1.2619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5180   -1.3766    1.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3175   -2.4603   -0.5703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3256   -3.4096    0.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5753   -1.9061    2.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3410    0.0145    1.5716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9273    0.7217   -0.7796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7210    1.9531   -0.1801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8582    1.4612    2.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3078    2.0295   -0.5697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6891   -0.2518   -1.6148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8734    2.7815   -1.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
  2 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 22 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 19 31  2  0
 31 32  1  0
 12  5  1  0
 31 13  1  0
 29 20  1  0
  3 33  1  0
  3 34  1  0
  4 35  1  0
  4 36  1  0
  6 37  1  0
  7 38  1  0
  9 39  1  0
 11 40  1  0
 12 41  1  0
 15 42  1  0
 16 43  1  0
 18 44  1  0
 20 45  1  0
 22 46  1  0
 23 47  1  0
 23 48  1  0
 24 49  1  0
 25 50  1  0
 26 51  1  0
 27 52  1  0
 28 53  1  0
 29 54  1  0
 30 55  1  0
 32 56  1  0
M  END
Download

3D SDF for HMDB0030851 (Aspalathin)


  Mrv0541 05061305332D          

 32 34  0  0  0  0            999 V2000
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  8  1  1  0  0  0  0
  8  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 11  9  2  0  0  0  0
 12  6  2  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  2  0  0  0  0
 17 14  1  0  0  0  0
 18 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 16  1  0  0  0  0
 21 20  1  0  0  0  0
 22  7  1  0  0  0  0
 23  9  1  0  0  0  0
 24 10  2  0  0  0  0
 25 11  1  0  0  0  0
 26 12  1  0  0  0  0
 27 13  1  0  0  0  0
 28 17  1  0  0  0  0
 29 18  1  0  0  0  0
 30 19  1  0  0  0  0
 31 20  1  0  0  0  0
 32 14  1  0  0  0  0
 32 21  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0030851

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C(C(=O)CCC2=CC(O)=C(O)C=C2)=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H24O11/c22-7-14-17(28)19(30)20(31)21(32-14)16-13(27)6-12(26)15(18(16)29)10(24)4-2-8-1-3-9(23)11(25)5-8/h1,3,5-6,14,17,19-23,25-31H,2,4,7H2

> <INCHI_KEY>
VCPUQYKWJRESOC-UHFFFAOYSA-N

> <FORMULA>
C21H24O11

> <MOLECULAR_WEIGHT>
452.4087

> <EXACT_MASS>
452.13186161

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
44.50416406618121

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-(3,4-dihydroxyphenyl)-1-{2,4,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}propan-1-one

> <ALOGPS_LOGP>
0.03

> <JCHEM_LOGP>
0.8346543059999996

> <ALOGPS_LOGS>
-2.26

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.262141975913307

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.568297133472656

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6114574128973063

> <JCHEM_POLAR_SURFACE_AREA>
208.36999999999998

> <JCHEM_REFRACTIVITY>
108.80649999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.49e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
aspalathin

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0030851 (Aspalathin)

HMDB0030851
     RDKit          3D
Aspalathin
 56 58  0  0  0  0  0  0  0  0999 V2000
    1.1982    2.5323   -1.2685 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6097    1.3714   -1.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0600    1.1225   -1.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7265    1.2948    0.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1801    1.0431    0.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1133    2.0318   -0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4501    1.7256   -0.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8764    0.4226    0.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2389    0.1093    0.0604 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9794   -0.5685    0.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3965   -1.8950    0.5118 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6177   -0.2604    0.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6203    0.3695   -0.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0763   -0.8933   -0.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4186   -1.2907   -0.4328 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586   -1.8529    0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1468   -1.5367    0.1847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0383   -2.5205    0.5947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6768   -0.2699   -0.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0898   -0.0696    0.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8476   -1.2204   -0.2106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9208   -1.2429    0.6284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8131   -2.4427    0.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8781   -2.3279    1.3442 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7703   -0.0149    0.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7819   -0.1637   -0.3754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0648    1.2755    0.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7523    1.9468    1.6052 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8172    1.0769   -0.4583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4394    0.7030   -1.6961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7467    0.6867   -0.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2117    1.9286   -0.7633 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4819    1.9919   -1.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3305    0.2412   -1.6781 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6169    2.3842    0.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2942    0.7331    1.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8159    3.0559   -0.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2125    2.4785   -0.2575 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9507    0.7966   -0.0951 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7746   -2.6504    0.6751 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9549   -1.0892    0.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7051   -2.2295   -0.2149 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5440   -2.8561    0.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7324   -3.4452    0.8072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2198   -0.0384    1.2619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5180   -1.3766    1.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3175   -2.4603   -0.5703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3256   -3.4096    0.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5753   -1.9061    2.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3410    0.0145    1.5716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9273    0.7217   -0.7796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7210    1.9531   -0.1801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8582    1.4612    2.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3078    2.0295   -0.5697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6891   -0.2518   -1.6148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8734    2.7815   -1.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
  2 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 22 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 19 31  2  0
 31 32  1  0
 12  5  1  0
 31 13  1  0
 29 20  1  0
  3 33  1  0
  3 34  1  0
  4 35  1  0
  4 36  1  0
  6 37  1  0
  7 38  1  0
  9 39  1  0
 11 40  1  0
 12 41  1  0
 15 42  1  0
 16 43  1  0
 18 44  1  0
 20 45  1  0
 22 46  1  0
 23 47  1  0
 23 48  1  0
 24 49  1  0
 25 50  1  0
 26 51  1  0
 27 52  1  0
 28 53  1  0
 29 54  1  0
 30 55  1  0
 32 56  1  0
M  END
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PDB for HMDB0030851 (Aspalathin)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -5.335   4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.668   2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.335   6.160   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -8.002   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -8.002   4.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -10.669  -3.080   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -14.671   3.850   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -6.668   3.850   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -6.668   6.930   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -8.002   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -8.002   6.160   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0     -14.671   2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0     -12.003  -0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0     -16.004   1.540   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0     -10.669   0.000   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0     -16.004   0.000   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0     -14.671  -0.770   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0     -13.337   0.000   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0     -16.004   4.620   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -6.668   8.470   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -9.336   6.930   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0     -13.337  -3.080   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0     -17.338   2.310   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0     -10.669   1.540   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0     -17.338  -0.770   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0     -14.671  -2.310   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0     -13.337   1.540   0.000  0.00  0.00           O+0
CONECT    1    3    8                                                       
CONECT    2    4    8                                                       
CONECT    3    1    9                                                       
CONECT    4    2   10                                                       
CONECT    5    8   11                                                       
CONECT    6   12   13                                                       
CONECT    7   14   22                                                       
CONECT    8    1    2    5                                                  
CONECT    9    3   11   23                                                  
CONECT   10    4   15   24                                                  
CONECT   11    5    9   25                                                  
CONECT   12    6   15   26                                                  
CONECT   13    6   16   27                                                  
CONECT   14    7   17   32                                                  
CONECT   15   10   12   18                                                  
CONECT   16   13   18   21                                                  
CONECT   17   14   19   28                                                  
CONECT   18   15   16   29                                                  
CONECT   19   17   20   30                                                  
CONECT   20   19   21   31                                                  
CONECT   21   16   20   32                                                  
CONECT   22    7                                                            
CONECT   23    9                                                            
CONECT   24   10                                                            
CONECT   25   11                                                            
CONECT   26   12                                                            
CONECT   27   13                                                            
CONECT   28   17                                                            
CONECT   29   18                                                            
CONECT   30   19                                                            
CONECT   31   20                                                            
CONECT   32   14   21                                                       
MASTER        0    0    0    0    0    0    0    0   32    0   68    0
END
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3D PDB for HMDB0030851 (Aspalathin)

COMPND    HMDB0030851
HETATM    1  O1  UNL     1       1.198   2.532  -1.268  1.00  0.00           O  
HETATM    2  C1  UNL     1       1.610   1.371  -1.007  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.060   1.123  -1.116  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.726   1.295   0.228  1.00  0.00           C  
HETATM    5  C4  UNL     1       5.180   1.043   0.179  1.00  0.00           C  
HETATM    6  C5  UNL     1       6.113   2.032  -0.045  1.00  0.00           C  
HETATM    7  C6  UNL     1       7.450   1.726  -0.084  1.00  0.00           C  
HETATM    8  C7  UNL     1       7.876   0.423   0.100  1.00  0.00           C  
HETATM    9  O2  UNL     1       9.239   0.109   0.060  1.00  0.00           O  
HETATM   10  C8  UNL     1       6.979  -0.568   0.322  1.00  0.00           C  
HETATM   11  O3  UNL     1       7.397  -1.895   0.512  1.00  0.00           O  
HETATM   12  C9  UNL     1       5.618  -0.260   0.363  1.00  0.00           C  
HETATM   13  C10 UNL     1       0.620   0.369  -0.614  1.00  0.00           C  
HETATM   14  C11 UNL     1       1.076  -0.893  -0.335  1.00  0.00           C  
HETATM   15  O4  UNL     1       2.419  -1.291  -0.433  1.00  0.00           O  
HETATM   16  C12 UNL     1       0.159  -1.853   0.072  1.00  0.00           C  
HETATM   17  C13 UNL     1      -1.147  -1.537   0.185  1.00  0.00           C  
HETATM   18  O5  UNL     1      -2.038  -2.521   0.595  1.00  0.00           O  
HETATM   19  C14 UNL     1      -1.677  -0.270  -0.086  1.00  0.00           C  
HETATM   20  C15 UNL     1      -3.090  -0.070   0.113  1.00  0.00           C  
HETATM   21  O6  UNL     1      -3.848  -1.220  -0.211  1.00  0.00           O  
HETATM   22  C16 UNL     1      -4.921  -1.243   0.628  1.00  0.00           C  
HETATM   23  C17 UNL     1      -5.813  -2.443   0.412  1.00  0.00           C  
HETATM   24  O7  UNL     1      -6.878  -2.328   1.344  1.00  0.00           O  
HETATM   25  C18 UNL     1      -5.770  -0.015   0.604  1.00  0.00           C  
HETATM   26  O8  UNL     1      -6.782  -0.164  -0.375  1.00  0.00           O  
HETATM   27  C19 UNL     1      -5.065   1.275   0.449  1.00  0.00           C  
HETATM   28  O9  UNL     1      -4.752   1.947   1.605  1.00  0.00           O  
HETATM   29  C20 UNL     1      -3.817   1.077  -0.458  1.00  0.00           C  
HETATM   30  O10 UNL     1      -4.439   0.703  -1.696  1.00  0.00           O  
HETATM   31  C21 UNL     1      -0.747   0.687  -0.493  1.00  0.00           C  
HETATM   32  O11 UNL     1      -1.212   1.929  -0.763  1.00  0.00           O  
HETATM   33  H1  UNL     1       3.482   1.992  -1.737  1.00  0.00           H  
HETATM   34  H2  UNL     1       3.330   0.241  -1.678  1.00  0.00           H  
HETATM   35  H3  UNL     1       3.617   2.384   0.510  1.00  0.00           H  
HETATM   36  H4  UNL     1       3.294   0.733   1.050  1.00  0.00           H  
HETATM   37  H5  UNL     1       5.816   3.056  -0.194  1.00  0.00           H  
HETATM   38  H6  UNL     1       8.212   2.479  -0.258  1.00  0.00           H  
HETATM   39  H7  UNL     1       9.951   0.797  -0.095  1.00  0.00           H  
HETATM   40  H8  UNL     1       6.775  -2.650   0.675  1.00  0.00           H  
HETATM   41  H9  UNL     1       4.955  -1.089   0.544  1.00  0.00           H  
HETATM   42  H10 UNL     1       2.705  -2.229  -0.215  1.00  0.00           H  
HETATM   43  H11 UNL     1       0.544  -2.856   0.295  1.00  0.00           H  
HETATM   44  H12 UNL     1      -1.732  -3.445   0.807  1.00  0.00           H  
HETATM   45  H13 UNL     1      -3.220  -0.038   1.262  1.00  0.00           H  
HETATM   46  H14 UNL     1      -4.518  -1.377   1.678  1.00  0.00           H  
HETATM   47  H15 UNL     1      -6.317  -2.460  -0.570  1.00  0.00           H  
HETATM   48  H16 UNL     1      -5.326  -3.410   0.650  1.00  0.00           H  
HETATM   49  H17 UNL     1      -6.575  -1.906   2.193  1.00  0.00           H  
HETATM   50  H18 UNL     1      -6.341   0.014   1.572  1.00  0.00           H  
HETATM   51  H19 UNL     1      -6.927   0.722  -0.780  1.00  0.00           H  
HETATM   52  H20 UNL     1      -5.721   1.953  -0.180  1.00  0.00           H  
HETATM   53  H21 UNL     1      -4.858   1.461   2.441  1.00  0.00           H  
HETATM   54  H22 UNL     1      -3.308   2.030  -0.570  1.00  0.00           H  
HETATM   55  H23 UNL     1      -4.689  -0.252  -1.615  1.00  0.00           H  
HETATM   56  H24 UNL     1      -0.873   2.781  -1.026  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   13
CONECT    3    4   33   34
CONECT    4    5   35   36
CONECT    5    6    6   12
CONECT    6    7   37
CONECT    7    8    8   38
CONECT    8    9   10
CONECT    9   39
CONECT   10   11   12   12
CONECT   11   40
CONECT   12   41
CONECT   13   14   14   31
CONECT   14   15   16
CONECT   15   42
CONECT   16   17   17   43
CONECT   17   18   19
CONECT   18   44
CONECT   19   20   31   31
CONECT   20   21   29   45
CONECT   21   22
CONECT   22   23   25   46
CONECT   23   24   47   48
CONECT   24   49
CONECT   25   26   27   50
CONECT   26   51
CONECT   27   28   29   52
CONECT   28   53
CONECT   29   30   54
CONECT   30   55
CONECT   31   32
CONECT   32   56
END
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SMILES for HMDB0030851 (Aspalathin)

OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C(C(=O)CCC2=CC(O)=C(O)C=C2)=C1O
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INCHI for HMDB0030851 (Aspalathin)

InChI=1S/C21H24O11/c22-7-14-17(28)19(30)20(31)21(32-14)16-13(27)6-12(26)15(18(16)29)10(24)4-2-8-1-3-9(23)11(25)5-8/h1,3,5-6,14,17,19-23,25-31H,2,4,7H2
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View in JSmolView Stereo Labels
Synonyms
ValueSource
1-(3-C-b-D-Glucopyranosyl-2,4,6-trihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-1-propanoneHMDB
3'-Glucosyl-2',3,4,4',6'-pentahydroxydihydrochalconeHMDB
3-(3,4-Dihydroxyphenyl)-1-(3-beta-D-glucopyranosyl-2,4,6-trihydroxyphenyl)-1-propanoneHMDB
Chemical FormulaC21H24O11
Average Molecular Weight452.4087
Monoisotopic Molecular Weight452.13186161
IUPAC Name3-(3,4-dihydroxyphenyl)-1-{2,4,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}propan-1-one
Traditional Nameaspalathin
CAS Registry NumberNot Available
SMILES
OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C(C(=O)CCC2=CC(O)=C(O)C=C2)=C1O
InChI Identifier
InChI=1S/C21H24O11/c22-7-14-17(28)19(30)20(31)21(32-14)16-13(27)6-12(26)15(18(16)29)10(24)4-2-8-1-3-9(23)11(25)5-8/h1,3,5-6,14,17,19-23,25-31H,2,4,7H2
InChI KeyVCPUQYKWJRESOC-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 2'-hydroxy-dihydrochalcones. These are organic compounds containing dihydrochalcone skeleton that carries a hydroxyl group at the 2'-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassLinear 1,3-diarylpropanoids
Sub ClassChalcones and dihydrochalcones
Direct Parent2'-Hydroxy-dihydrochalcones
Alternative Parents
Substituents
  • 2'-hydroxy-dihydrochalcone
  • Phenolic glycoside
  • Cinnamylphenol
  • Alkyl-phenylketone
  • Hexose monosaccharide
  • Glycosyl compound
  • Acylphloroglucinol derivative
  • C-glycosyl compound
  • Butyrophenone
  • Phloroglucinol derivative
  • Phenylketone
  • Benzenetriol
  • Aryl ketone
  • Catechol
  • Aryl alkyl ketone
  • Benzoyl
  • 1-hydroxy-4-unsubstituted benzenoid
  • Phenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • Benzenoid
  • Monosaccharide
  • Monocyclic benzene moiety
  • Oxane
  • Vinylogous acid
  • Ketone
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Dialkyl ether
  • Ether
  • Alcohol
  • Organic oxygen compound
  • Primary alcohol
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility2.49 g/LALOGPS
logP0.03ALOGPS
logP0.83ChemAxon
logS-2.3ALOGPS
pKa (Strongest Acidic)7.57ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count9ChemAxon
Polar Surface Area208.37 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity108.81 m³·mol⁻¹ChemAxon
Polarizability44.5 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+203.8631661259
DarkChem[M-H]-197.64231661259
DeepCCS[M+H]+195.78730932474
DeepCCS[M-H]-193.39130932474
DeepCCS[M-2H]-226.32830932474
DeepCCS[M+Na]+201.69930932474
AllCCS[M+H]+208.632859911
AllCCS[M+H-H2O]+206.232859911
AllCCS[M+NH4]+210.932859911
AllCCS[M+Na]+211.532859911
AllCCS[M-H]-205.032859911
AllCCS[M+Na-2H]-206.132859911
AllCCS[M+HCOO]-207.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
AspalathinOCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C(C(=O)CCC2=CC(O)=C(O)C=C2)=C1O5050.5Standard polar33892256
AspalathinOCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C(C(=O)CCC2=CC(O)=C(O)C=C2)=C1O3818.1Standard non polar33892256
AspalathinOCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C(C(=O)CCC2=CC(O)=C(O)C=C2)=C1O4298.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Aspalathin,1TMS,isomer #1C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C(O)C1O4170.2Semi standard non polar33892256
Aspalathin,1TMS,isomer #2C[Si](C)(C)OC1C(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)OC(CO)C(O)C1O4186.6Semi standard non polar33892256
Aspalathin,1TMS,isomer #3C[Si](C)(C)OC1C(O)C(CO)OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C1O4203.6Semi standard non polar33892256
Aspalathin,1TMS,isomer #4C[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C1O4189.9Semi standard non polar33892256
Aspalathin,1TMS,isomer #5C[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=C1C1OC(CO)C(O)C(O)C1O4219.9Semi standard non polar33892256
Aspalathin,1TMS,isomer #6C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O)C2O)C(O)=C1C(=O)CCC1=CC=C(O)C(O)=C14235.7Semi standard non polar33892256
Aspalathin,1TMS,isomer #7C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O)=CC=C1O4180.0Semi standard non polar33892256
Aspalathin,1TMS,isomer #8C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O)C=C1O4212.7Semi standard non polar33892256
Aspalathin,1TMS,isomer #9C[Si](C)(C)OC1=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(CO)C(O)C(O)C1O4165.3Semi standard non polar33892256
Aspalathin,2TMS,isomer #1C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C(O)C1O4104.9Semi standard non polar33892256
Aspalathin,2TMS,isomer #10C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)=C1C(=O)CCC1=CC=C(O)C(O)=C14157.0Semi standard non polar33892256
Aspalathin,2TMS,isomer #11C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O)C=C1O4041.5Semi standard non polar33892256
Aspalathin,2TMS,isomer #12C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O)=CC=C1O4019.2Semi standard non polar33892256
Aspalathin,2TMS,isomer #13C[Si](C)(C)OC1=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C4088.8Semi standard non polar33892256
Aspalathin,2TMS,isomer #14C[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C)C1O4094.3Semi standard non polar33892256
Aspalathin,2TMS,isomer #15C[Si](C)(C)OC1C(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)OC(CO)C(O)C1O[Si](C)(C)C4117.8Semi standard non polar33892256
Aspalathin,2TMS,isomer #16C[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C1O[Si](C)(C)C4116.2Semi standard non polar33892256
Aspalathin,2TMS,isomer #17C[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O4090.2Semi standard non polar33892256
Aspalathin,2TMS,isomer #18C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)=C1C(=O)CCC1=CC=C(O)C(O)=C14145.5Semi standard non polar33892256
Aspalathin,2TMS,isomer #19C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O)C=C1O4029.6Semi standard non polar33892256
Aspalathin,2TMS,isomer #2C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C(O)C1O4147.4Semi standard non polar33892256
Aspalathin,2TMS,isomer #20C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O)=CC=C1O4005.3Semi standard non polar33892256
Aspalathin,2TMS,isomer #21C[Si](C)(C)OC1=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O4084.4Semi standard non polar33892256
Aspalathin,2TMS,isomer #22C[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O4106.0Semi standard non polar33892256
Aspalathin,2TMS,isomer #23C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)=C1C(=O)CCC1=CC=C(O)C(O)=C14153.5Semi standard non polar33892256
Aspalathin,2TMS,isomer #24C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O)C=C1O4037.4Semi standard non polar33892256
Aspalathin,2TMS,isomer #25C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O)=CC=C1O4015.1Semi standard non polar33892256
Aspalathin,2TMS,isomer #26C[Si](C)(C)OC1=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O4094.3Semi standard non polar33892256
Aspalathin,2TMS,isomer #27C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2OC(CO)C(O)C(O)C2O)C(O)=C1C(=O)CCC1=CC=C(O)C(O)=C14175.1Semi standard non polar33892256
Aspalathin,2TMS,isomer #28C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C2O)C=C1O4111.3Semi standard non polar33892256
Aspalathin,2TMS,isomer #29C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C2O)=CC=C1O4080.8Semi standard non polar33892256
Aspalathin,2TMS,isomer #3C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O)C(O)C1O4060.4Semi standard non polar33892256
Aspalathin,2TMS,isomer #30C[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O)C1O4149.3Semi standard non polar33892256
Aspalathin,2TMS,isomer #31C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)=C1C(=O)CCC1=CC=C(O)C(O)=C14166.9Semi standard non polar33892256
Aspalathin,2TMS,isomer #32C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O)C=C1O4147.7Semi standard non polar33892256
Aspalathin,2TMS,isomer #33C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O)=CC=C1O4125.6Semi standard non polar33892256
Aspalathin,2TMS,isomer #34C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O[Si](C)(C)C)=CC=C1O4076.9Semi standard non polar33892256
Aspalathin,2TMS,isomer #35C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O)C=C1O[Si](C)(C)C4075.8Semi standard non polar33892256
Aspalathin,2TMS,isomer #36C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O[Si](C)(C)C)C=C1O4092.7Semi standard non polar33892256
Aspalathin,2TMS,isomer #4C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O)C1O4038.8Semi standard non polar33892256
Aspalathin,2TMS,isomer #5C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O4089.0Semi standard non polar33892256
Aspalathin,2TMS,isomer #6C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O4087.4Semi standard non polar33892256
Aspalathin,2TMS,isomer #7C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O4078.6Semi standard non polar33892256
Aspalathin,2TMS,isomer #8C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C(O)C1O[Si](C)(C)C4094.0Semi standard non polar33892256
Aspalathin,2TMS,isomer #9C[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C4107.2Semi standard non polar33892256
Aspalathin,3TMS,isomer #1C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C(O)C1O4045.5Semi standard non polar33892256
Aspalathin,3TMS,isomer #10C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O4063.9Semi standard non polar33892256
Aspalathin,3TMS,isomer #11C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O4065.3Semi standard non polar33892256
Aspalathin,3TMS,isomer #12C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O4052.2Semi standard non polar33892256
Aspalathin,3TMS,isomer #13C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C(O)C1O[Si](C)(C)C4067.3Semi standard non polar33892256
Aspalathin,3TMS,isomer #14C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O)C1O3944.1Semi standard non polar33892256
Aspalathin,3TMS,isomer #15C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O3948.4Semi standard non polar33892256
Aspalathin,3TMS,isomer #16C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O3923.2Semi standard non polar33892256
Aspalathin,3TMS,isomer #17C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O3914.7Semi standard non polar33892256
Aspalathin,3TMS,isomer #18C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O)C(O)C1O[Si](C)(C)C3936.9Semi standard non polar33892256
Aspalathin,3TMS,isomer #19C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O3940.2Semi standard non polar33892256
Aspalathin,3TMS,isomer #2C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O)C(O)C1O3943.1Semi standard non polar33892256
Aspalathin,3TMS,isomer #20C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O3909.0Semi standard non polar33892256
Aspalathin,3TMS,isomer #21C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O3896.8Semi standard non polar33892256
Aspalathin,3TMS,isomer #22C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O)C1O[Si](C)(C)C3920.1Semi standard non polar33892256
Aspalathin,3TMS,isomer #23C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4005.3Semi standard non polar33892256
Aspalathin,3TMS,isomer #24C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4003.6Semi standard non polar33892256
Aspalathin,3TMS,isomer #25C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4012.6Semi standard non polar33892256
Aspalathin,3TMS,isomer #26C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4029.7Semi standard non polar33892256
Aspalathin,3TMS,isomer #27C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4035.8Semi standard non polar33892256
Aspalathin,3TMS,isomer #28C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4041.6Semi standard non polar33892256
Aspalathin,3TMS,isomer #29C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)=C1C(=O)CCC1=CC=C(O)C(O)=C14053.0Semi standard non polar33892256
Aspalathin,3TMS,isomer #3C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O)C1O3923.1Semi standard non polar33892256
Aspalathin,3TMS,isomer #30C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O)C=C1O3952.0Semi standard non polar33892256
Aspalathin,3TMS,isomer #31C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O)=CC=C1O3935.2Semi standard non polar33892256
Aspalathin,3TMS,isomer #32C[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C4022.0Semi standard non polar33892256
Aspalathin,3TMS,isomer #33C[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4014.8Semi standard non polar33892256
Aspalathin,3TMS,isomer #34C[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4025.0Semi standard non polar33892256
Aspalathin,3TMS,isomer #35C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=C1C(=O)CCC1=CC=C(O)C(O)=C14075.7Semi standard non polar33892256
Aspalathin,3TMS,isomer #36C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=C1C(=O)CCC1=CC=C(O)C(O)=C14090.1Semi standard non polar33892256
Aspalathin,3TMS,isomer #37C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C(=O)CCC1=CC=C(O)C(O)=C14061.9Semi standard non polar33892256
Aspalathin,3TMS,isomer #38C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O)C=C1O4012.5Semi standard non polar33892256
Aspalathin,3TMS,isomer #39C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O)=CC=C1O3997.3Semi standard non polar33892256
Aspalathin,3TMS,isomer #4C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O4018.0Semi standard non polar33892256
Aspalathin,3TMS,isomer #40C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O)C=C1O3922.8Semi standard non polar33892256
Aspalathin,3TMS,isomer #41C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)C=C1O3943.3Semi standard non polar33892256
Aspalathin,3TMS,isomer #42C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O3941.8Semi standard non polar33892256
Aspalathin,3TMS,isomer #43C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O)C=C1O[Si](C)(C)C3959.9Semi standard non polar33892256
Aspalathin,3TMS,isomer #44C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O)=CC=C1O3911.5Semi standard non polar33892256
Aspalathin,3TMS,isomer #45C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)=CC=C1O3925.9Semi standard non polar33892256
Aspalathin,3TMS,isomer #46C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC=C1O3933.8Semi standard non polar33892256
Aspalathin,3TMS,isomer #47C[Si](C)(C)OC1=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4013.7Semi standard non polar33892256
Aspalathin,3TMS,isomer #48C[Si](C)(C)OC1=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4021.8Semi standard non polar33892256
Aspalathin,3TMS,isomer #49C[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4080.6Semi standard non polar33892256
Aspalathin,3TMS,isomer #5C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O4010.9Semi standard non polar33892256
Aspalathin,3TMS,isomer #50C[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4032.8Semi standard non polar33892256
Aspalathin,3TMS,isomer #51C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=C1C(=O)CCC1=CC=C(O)C(O)=C14090.3Semi standard non polar33892256
Aspalathin,3TMS,isomer #52C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O)C=C1O3953.2Semi standard non polar33892256
Aspalathin,3TMS,isomer #53C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O)=CC=C1O3931.2Semi standard non polar33892256
Aspalathin,3TMS,isomer #54C[Si](C)(C)OC1=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4022.0Semi standard non polar33892256
Aspalathin,3TMS,isomer #55C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)=C1C(=O)CCC1=CC=C(O)C(O)=C14024.1Semi standard non polar33892256
Aspalathin,3TMS,isomer #56C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O)C=C1O3940.2Semi standard non polar33892256
Aspalathin,3TMS,isomer #57C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O)=CC=C1O3927.8Semi standard non polar33892256
Aspalathin,3TMS,isomer #58C[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O3995.0Semi standard non polar33892256
Aspalathin,3TMS,isomer #59C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C1C(=O)CCC1=CC=C(O)C(O)=C14050.3Semi standard non polar33892256
Aspalathin,3TMS,isomer #6C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O3997.4Semi standard non polar33892256
Aspalathin,3TMS,isomer #60C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O)C=C1O3984.2Semi standard non polar33892256
Aspalathin,3TMS,isomer #61C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O)=CC=C1O3965.2Semi standard non polar33892256
Aspalathin,3TMS,isomer #62C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)C=C1O3920.3Semi standard non polar33892256
Aspalathin,3TMS,isomer #63C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O)C=C1O[Si](C)(C)C3928.2Semi standard non polar33892256
Aspalathin,3TMS,isomer #64C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)=CC=C1O3912.1Semi standard non polar33892256
Aspalathin,3TMS,isomer #65C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)=C1C(=O)CCC1=CC=C(O)C(O)=C14056.6Semi standard non polar33892256
Aspalathin,3TMS,isomer #66C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O)C=C1O3946.0Semi standard non polar33892256
Aspalathin,3TMS,isomer #67C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O)=CC=C1O3931.1Semi standard non polar33892256
Aspalathin,3TMS,isomer #68C[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O4021.0Semi standard non polar33892256
Aspalathin,3TMS,isomer #69C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=C1C(=O)CCC1=CC=C(O)C(O)=C14068.6Semi standard non polar33892256
Aspalathin,3TMS,isomer #7C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C(O)C1O[Si](C)(C)C4019.6Semi standard non polar33892256
Aspalathin,3TMS,isomer #70C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O)C=C1O4005.6Semi standard non polar33892256
Aspalathin,3TMS,isomer #71C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O)=CC=C1O3988.1Semi standard non polar33892256
Aspalathin,3TMS,isomer #72C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O[Si](C)(C)C)C=C1O3940.0Semi standard non polar33892256
Aspalathin,3TMS,isomer #73C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O)C=C1O[Si](C)(C)C3954.0Semi standard non polar33892256
Aspalathin,3TMS,isomer #74C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O[Si](C)(C)C)=CC=C1O3932.1Semi standard non polar33892256
Aspalathin,3TMS,isomer #75C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)=C1C(=O)CCC1=CC=C(O)C(O)=C14098.0Semi standard non polar33892256
Aspalathin,3TMS,isomer #76C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C2O)C=C1O4040.8Semi standard non polar33892256
Aspalathin,3TMS,isomer #77C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C2O)=CC=C1O4017.5Semi standard non polar33892256
Aspalathin,3TMS,isomer #78C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C2O[Si](C)(C)C)C=C1O4005.1Semi standard non polar33892256
Aspalathin,3TMS,isomer #79C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C2O)C=C1O[Si](C)(C)C4008.5Semi standard non polar33892256
Aspalathin,3TMS,isomer #8C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O)C(O)C1O4005.7Semi standard non polar33892256
Aspalathin,3TMS,isomer #80C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C2O[Si](C)(C)C)=CC=C1O3991.1Semi standard non polar33892256
Aspalathin,3TMS,isomer #81C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O[Si](C)(C)C)C=C1O4059.2Semi standard non polar33892256
Aspalathin,3TMS,isomer #82C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O[Si](C)(C)C)=CC=C1O4048.6Semi standard non polar33892256
Aspalathin,3TMS,isomer #83C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O)C=C1O[Si](C)(C)C4056.9Semi standard non polar33892256
Aspalathin,3TMS,isomer #84C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C4002.8Semi standard non polar33892256
Aspalathin,3TMS,isomer #9C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O)C1O3990.5Semi standard non polar33892256
Aspalathin,4TMS,isomer #1C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O)C(O)C1O3893.4Semi standard non polar33892256
Aspalathin,4TMS,isomer #10C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O3860.1Semi standard non polar33892256
Aspalathin,4TMS,isomer #100C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O)C=C1O[Si](C)(C)C3890.4Semi standard non polar33892256
Aspalathin,4TMS,isomer #101C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)=CC=C1O3851.0Semi standard non polar33892256
Aspalathin,4TMS,isomer #102C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C1C(=O)CCC1=CC=C(O)C(O)=C13953.2Semi standard non polar33892256
Aspalathin,4TMS,isomer #103C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O)C=C1O3903.4Semi standard non polar33892256
Aspalathin,4TMS,isomer #104C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O)=CC=C1O3896.7Semi standard non polar33892256
Aspalathin,4TMS,isomer #105C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)C=C1O3879.1Semi standard non polar33892256
Aspalathin,4TMS,isomer #106C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O)C=C1O[Si](C)(C)C3876.7Semi standard non polar33892256
Aspalathin,4TMS,isomer #107C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)=CC=C1O3869.5Semi standard non polar33892256
Aspalathin,4TMS,isomer #108C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)C=C1O3900.8Semi standard non polar33892256
Aspalathin,4TMS,isomer #109C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)=CC=C1O3892.5Semi standard non polar33892256
Aspalathin,4TMS,isomer #11C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O)C(O)C1O[Si](C)(C)C3845.8Semi standard non polar33892256
Aspalathin,4TMS,isomer #110C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O)C=C1O[Si](C)(C)C3921.2Semi standard non polar33892256
Aspalathin,4TMS,isomer #111C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C3866.7Semi standard non polar33892256
Aspalathin,4TMS,isomer #112C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=C1C(=O)CCC1=CC=C(O)C(O)=C13983.2Semi standard non polar33892256
Aspalathin,4TMS,isomer #113C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O)C=C1O3907.4Semi standard non polar33892256
Aspalathin,4TMS,isomer #114C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O)=CC=C1O3902.7Semi standard non polar33892256
Aspalathin,4TMS,isomer #115C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O[Si](C)(C)C)C=C1O3872.4Semi standard non polar33892256
Aspalathin,4TMS,isomer #116C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O)C=C1O[Si](C)(C)C3890.7Semi standard non polar33892256
Aspalathin,4TMS,isomer #117C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O[Si](C)(C)C)=CC=C1O3865.0Semi standard non polar33892256
Aspalathin,4TMS,isomer #118C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O[Si](C)(C)C)C=C1O3920.2Semi standard non polar33892256
Aspalathin,4TMS,isomer #119C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O[Si](C)(C)C)=CC=C1O3912.1Semi standard non polar33892256
Aspalathin,4TMS,isomer #12C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O3834.6Semi standard non polar33892256
Aspalathin,4TMS,isomer #120C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O)C=C1O[Si](C)(C)C3937.5Semi standard non polar33892256
Aspalathin,4TMS,isomer #121C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C3889.3Semi standard non polar33892256
Aspalathin,4TMS,isomer #122C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C2O[Si](C)(C)C)C=C1O3965.3Semi standard non polar33892256
Aspalathin,4TMS,isomer #123C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C2O[Si](C)(C)C)=CC=C1O3951.1Semi standard non polar33892256
Aspalathin,4TMS,isomer #124C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C2O)C=C1O[Si](C)(C)C3969.1Semi standard non polar33892256
Aspalathin,4TMS,isomer #125C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C3948.9Semi standard non polar33892256
Aspalathin,4TMS,isomer #126C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C4001.3Semi standard non polar33892256
Aspalathin,4TMS,isomer #13C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O3830.8Semi standard non polar33892256
Aspalathin,4TMS,isomer #14C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O3851.8Semi standard non polar33892256
Aspalathin,4TMS,isomer #15C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O)C1O[Si](C)(C)C3838.2Semi standard non polar33892256
Aspalathin,4TMS,isomer #16C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3941.3Semi standard non polar33892256
Aspalathin,4TMS,isomer #17C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3917.1Semi standard non polar33892256
Aspalathin,4TMS,isomer #18C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3945.0Semi standard non polar33892256
Aspalathin,4TMS,isomer #19C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3950.4Semi standard non polar33892256
Aspalathin,4TMS,isomer #2C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O)C1O3882.4Semi standard non polar33892256
Aspalathin,4TMS,isomer #20C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3964.7Semi standard non polar33892256
Aspalathin,4TMS,isomer #21C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3965.9Semi standard non polar33892256
Aspalathin,4TMS,isomer #22C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O)C1O3932.1Semi standard non polar33892256
Aspalathin,4TMS,isomer #23C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O3915.8Semi standard non polar33892256
Aspalathin,4TMS,isomer #24C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O3904.7Semi standard non polar33892256
Aspalathin,4TMS,isomer #25C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O3895.3Semi standard non polar33892256
Aspalathin,4TMS,isomer #26C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O)C(O)C1O[Si](C)(C)C3906.9Semi standard non polar33892256
Aspalathin,4TMS,isomer #27C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O3905.0Semi standard non polar33892256
Aspalathin,4TMS,isomer #28C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O3893.1Semi standard non polar33892256
Aspalathin,4TMS,isomer #29C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O3884.5Semi standard non polar33892256
Aspalathin,4TMS,isomer #3C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O3973.9Semi standard non polar33892256
Aspalathin,4TMS,isomer #30C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O)C1O[Si](C)(C)C3893.8Semi standard non polar33892256
Aspalathin,4TMS,isomer #31C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3986.9Semi standard non polar33892256
Aspalathin,4TMS,isomer #32C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3972.6Semi standard non polar33892256
Aspalathin,4TMS,isomer #33C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3991.5Semi standard non polar33892256
Aspalathin,4TMS,isomer #34C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4007.9Semi standard non polar33892256
Aspalathin,4TMS,isomer #35C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4023.5Semi standard non polar33892256
Aspalathin,4TMS,isomer #36C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4024.5Semi standard non polar33892256
Aspalathin,4TMS,isomer #37C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O3884.6Semi standard non polar33892256
Aspalathin,4TMS,isomer #38C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O3874.1Semi standard non polar33892256
Aspalathin,4TMS,isomer #39C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O3862.4Semi standard non polar33892256
Aspalathin,4TMS,isomer #4C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O3979.8Semi standard non polar33892256
Aspalathin,4TMS,isomer #40C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O)C1O[Si](C)(C)C3875.6Semi standard non polar33892256
Aspalathin,4TMS,isomer #41C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3835.4Semi standard non polar33892256
Aspalathin,4TMS,isomer #42C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3838.4Semi standard non polar33892256
Aspalathin,4TMS,isomer #43C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3844.9Semi standard non polar33892256
Aspalathin,4TMS,isomer #44C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3865.1Semi standard non polar33892256
Aspalathin,4TMS,isomer #45C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3866.6Semi standard non polar33892256
Aspalathin,4TMS,isomer #46C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3880.1Semi standard non polar33892256
Aspalathin,4TMS,isomer #47C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3823.4Semi standard non polar33892256
Aspalathin,4TMS,isomer #48C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3831.3Semi standard non polar33892256
Aspalathin,4TMS,isomer #49C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3834.0Semi standard non polar33892256
Aspalathin,4TMS,isomer #5C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O3952.3Semi standard non polar33892256
Aspalathin,4TMS,isomer #50C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3854.9Semi standard non polar33892256
Aspalathin,4TMS,isomer #51C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3861.2Semi standard non polar33892256
Aspalathin,4TMS,isomer #52C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3871.6Semi standard non polar33892256
Aspalathin,4TMS,isomer #53C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3950.9Semi standard non polar33892256
Aspalathin,4TMS,isomer #54C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3968.8Semi standard non polar33892256
Aspalathin,4TMS,isomer #55C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3968.1Semi standard non polar33892256
Aspalathin,4TMS,isomer #56C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4022.3Semi standard non polar33892256
Aspalathin,4TMS,isomer #57C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=C1C(=O)CCC1=CC=C(O)C(O)=C13981.4Semi standard non polar33892256
Aspalathin,4TMS,isomer #58C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=C1C(=O)CCC1=CC=C(O)C(O)=C13973.4Semi standard non polar33892256
Aspalathin,4TMS,isomer #59C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C(=O)CCC1=CC=C(O)C(O)=C13976.9Semi standard non polar33892256
Aspalathin,4TMS,isomer #6C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C(O)C1O[Si](C)(C)C3977.6Semi standard non polar33892256
Aspalathin,4TMS,isomer #60C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O)C=C1O3913.8Semi standard non polar33892256
Aspalathin,4TMS,isomer #61C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O)=CC=C1O3902.6Semi standard non polar33892256
Aspalathin,4TMS,isomer #62C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O)C=C1O3857.7Semi standard non polar33892256
Aspalathin,4TMS,isomer #63C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)C=C1O3860.4Semi standard non polar33892256
Aspalathin,4TMS,isomer #64C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O3876.9Semi standard non polar33892256
Aspalathin,4TMS,isomer #65C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O)C=C1O[Si](C)(C)C3896.8Semi standard non polar33892256
Aspalathin,4TMS,isomer #66C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O)=CC=C1O3851.1Semi standard non polar33892256
Aspalathin,4TMS,isomer #67C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)=CC=C1O3849.2Semi standard non polar33892256
Aspalathin,4TMS,isomer #68C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC=C1O3866.4Semi standard non polar33892256
Aspalathin,4TMS,isomer #69C[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3943.9Semi standard non polar33892256
Aspalathin,4TMS,isomer #7C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O)C1O3875.0Semi standard non polar33892256
Aspalathin,4TMS,isomer #70C[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3938.9Semi standard non polar33892256
Aspalathin,4TMS,isomer #71C[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3990.4Semi standard non polar33892256
Aspalathin,4TMS,isomer #72C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=C1C(=O)CCC1=CC=C(O)C(O)=C14050.1Semi standard non polar33892256
Aspalathin,4TMS,isomer #73C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C(=O)CCC1=CC=C(O)C(O)=C14002.4Semi standard non polar33892256
Aspalathin,4TMS,isomer #74C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O)C=C1O3913.7Semi standard non polar33892256
Aspalathin,4TMS,isomer #75C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O)=CC=C1O3905.6Semi standard non polar33892256
Aspalathin,4TMS,isomer #76C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C(=O)CCC1=CC=C(O)C(O)=C13994.4Semi standard non polar33892256
Aspalathin,4TMS,isomer #77C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)C=C1O3914.3Semi standard non polar33892256
Aspalathin,4TMS,isomer #78C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)=CC=C1O3902.6Semi standard non polar33892256
Aspalathin,4TMS,isomer #79C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O3920.0Semi standard non polar33892256
Aspalathin,4TMS,isomer #8C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O3844.9Semi standard non polar33892256
Aspalathin,4TMS,isomer #80C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC=C1O3909.2Semi standard non polar33892256
Aspalathin,4TMS,isomer #81C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O)C=C1O[Si](C)(C)C3947.7Semi standard non polar33892256
Aspalathin,4TMS,isomer #82C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)C=C1O3904.0Semi standard non polar33892256
Aspalathin,4TMS,isomer #83C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O3845.7Semi standard non polar33892256
Aspalathin,4TMS,isomer #84C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O)C=C1O[Si](C)(C)C3879.7Semi standard non polar33892256
Aspalathin,4TMS,isomer #85C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O3849.3Semi standard non polar33892256
Aspalathin,4TMS,isomer #86C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)C=C1O[Si](C)(C)C3881.1Semi standard non polar33892256
Aspalathin,4TMS,isomer #87C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C3886.6Semi standard non polar33892256
Aspalathin,4TMS,isomer #88C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)=CC=C1O3891.1Semi standard non polar33892256
Aspalathin,4TMS,isomer #89C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC=C1O3838.6Semi standard non polar33892256
Aspalathin,4TMS,isomer #9C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O3840.6Semi standard non polar33892256
Aspalathin,4TMS,isomer #90C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC=C1O3839.3Semi standard non polar33892256
Aspalathin,4TMS,isomer #91C[Si](C)(C)OC1=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3994.8Semi standard non polar33892256
Aspalathin,4TMS,isomer #92C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=C1C(=O)CCC1=CC=C(O)C(O)=C13985.1Semi standard non polar33892256
Aspalathin,4TMS,isomer #93C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O)C=C1O3872.9Semi standard non polar33892256
Aspalathin,4TMS,isomer #94C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O)=CC=C1O3862.1Semi standard non polar33892256
Aspalathin,4TMS,isomer #95C[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3947.3Semi standard non polar33892256
Aspalathin,4TMS,isomer #96C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C1C(=O)CCC1=CC=C(O)C(O)=C14002.6Semi standard non polar33892256
Aspalathin,4TMS,isomer #97C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O)C=C1O3925.1Semi standard non polar33892256
Aspalathin,4TMS,isomer #98C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O)=CC=C1O3915.2Semi standard non polar33892256
Aspalathin,4TMS,isomer #99C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)C=C1O3862.0Semi standard non polar33892256
Aspalathin,5TMS,isomer #1C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O)C1O3858.8Semi standard non polar33892256
Aspalathin,5TMS,isomer #10C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3903.8Semi standard non polar33892256
Aspalathin,5TMS,isomer #100C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C3887.9Semi standard non polar33892256
Aspalathin,5TMS,isomer #101C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O3833.9Semi standard non polar33892256
Aspalathin,5TMS,isomer #102C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)C=C1O[Si](C)(C)C3883.1Semi standard non polar33892256
Aspalathin,5TMS,isomer #103C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C3842.5Semi standard non polar33892256
Aspalathin,5TMS,isomer #104C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C3835.2Semi standard non polar33892256
Aspalathin,5TMS,isomer #105C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC=C1O3829.0Semi standard non polar33892256
Aspalathin,5TMS,isomer #106C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C1C(=O)CCC1=CC=C(O)C(O)=C13904.5Semi standard non polar33892256
Aspalathin,5TMS,isomer #107C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O)C=C1O3845.4Semi standard non polar33892256
Aspalathin,5TMS,isomer #108C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O)=CC=C1O3835.8Semi standard non polar33892256
Aspalathin,5TMS,isomer #109C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)C=C1O3807.2Semi standard non polar33892256
Aspalathin,5TMS,isomer #11C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3873.8Semi standard non polar33892256
Aspalathin,5TMS,isomer #110C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O)C=C1O[Si](C)(C)C3840.9Semi standard non polar33892256
Aspalathin,5TMS,isomer #111C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)=CC=C1O3795.9Semi standard non polar33892256
Aspalathin,5TMS,isomer #112C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)C=C1O3846.8Semi standard non polar33892256
Aspalathin,5TMS,isomer #113C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)=CC=C1O3842.5Semi standard non polar33892256
Aspalathin,5TMS,isomer #114C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O)C=C1O[Si](C)(C)C3899.8Semi standard non polar33892256
Aspalathin,5TMS,isomer #115C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C3843.9Semi standard non polar33892256
Aspalathin,5TMS,isomer #116C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)C=C1O3847.4Semi standard non polar33892256
Aspalathin,5TMS,isomer #117C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)=CC=C1O3838.5Semi standard non polar33892256
Aspalathin,5TMS,isomer #118C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O)C=C1O[Si](C)(C)C3868.0Semi standard non polar33892256
Aspalathin,5TMS,isomer #119C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C3849.1Semi standard non polar33892256
Aspalathin,5TMS,isomer #12C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3903.9Semi standard non polar33892256
Aspalathin,5TMS,isomer #120C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C3873.2Semi standard non polar33892256
Aspalathin,5TMS,isomer #121C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O[Si](C)(C)C)C=C1O3846.4Semi standard non polar33892256
Aspalathin,5TMS,isomer #122C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O[Si](C)(C)C)=CC=C1O3844.1Semi standard non polar33892256
Aspalathin,5TMS,isomer #123C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O)C=C1O[Si](C)(C)C3890.4Semi standard non polar33892256
Aspalathin,5TMS,isomer #124C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C3854.4Semi standard non polar33892256
Aspalathin,5TMS,isomer #125C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C3886.4Semi standard non polar33892256
Aspalathin,5TMS,isomer #126C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C3925.1Semi standard non polar33892256
Aspalathin,5TMS,isomer #13C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3914.5Semi standard non polar33892256
Aspalathin,5TMS,isomer #14C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3936.8Semi standard non polar33892256
Aspalathin,5TMS,isomer #15C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3928.9Semi standard non polar33892256
Aspalathin,5TMS,isomer #16C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O3832.2Semi standard non polar33892256
Aspalathin,5TMS,isomer #17C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O3820.2Semi standard non polar33892256
Aspalathin,5TMS,isomer #18C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O3833.1Semi standard non polar33892256
Aspalathin,5TMS,isomer #19C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O)C1O[Si](C)(C)C3826.1Semi standard non polar33892256
Aspalathin,5TMS,isomer #2C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O3820.9Semi standard non polar33892256
Aspalathin,5TMS,isomer #20C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3780.0Semi standard non polar33892256
Aspalathin,5TMS,isomer #21C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3813.1Semi standard non polar33892256
Aspalathin,5TMS,isomer #22C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3785.5Semi standard non polar33892256
Aspalathin,5TMS,isomer #23C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3799.7Semi standard non polar33892256
Aspalathin,5TMS,isomer #24C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3811.7Semi standard non polar33892256
Aspalathin,5TMS,isomer #25C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3809.7Semi standard non polar33892256
Aspalathin,5TMS,isomer #26C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3774.0Semi standard non polar33892256
Aspalathin,5TMS,isomer #27C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3801.1Semi standard non polar33892256
Aspalathin,5TMS,isomer #28C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3779.8Semi standard non polar33892256
Aspalathin,5TMS,isomer #29C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3790.5Semi standard non polar33892256
Aspalathin,5TMS,isomer #3C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O3823.8Semi standard non polar33892256
Aspalathin,5TMS,isomer #30C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3805.7Semi standard non polar33892256
Aspalathin,5TMS,isomer #31C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3802.4Semi standard non polar33892256
Aspalathin,5TMS,isomer #32C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3870.0Semi standard non polar33892256
Aspalathin,5TMS,isomer #33C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3895.1Semi standard non polar33892256
Aspalathin,5TMS,isomer #34C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3884.0Semi standard non polar33892256
Aspalathin,5TMS,isomer #35C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3942.5Semi standard non polar33892256
Aspalathin,5TMS,isomer #36C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O3868.8Semi standard non polar33892256
Aspalathin,5TMS,isomer #37C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O3877.8Semi standard non polar33892256
Aspalathin,5TMS,isomer #38C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O3866.1Semi standard non polar33892256
Aspalathin,5TMS,isomer #39C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O)C1O[Si](C)(C)C3877.5Semi standard non polar33892256
Aspalathin,5TMS,isomer #4C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O3843.3Semi standard non polar33892256
Aspalathin,5TMS,isomer #40C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3822.9Semi standard non polar33892256
Aspalathin,5TMS,isomer #41C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3825.9Semi standard non polar33892256
Aspalathin,5TMS,isomer #42C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3826.5Semi standard non polar33892256
Aspalathin,5TMS,isomer #43C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3849.0Semi standard non polar33892256
Aspalathin,5TMS,isomer #44C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3862.0Semi standard non polar33892256
Aspalathin,5TMS,isomer #45C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3857.5Semi standard non polar33892256
Aspalathin,5TMS,isomer #46C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3814.7Semi standard non polar33892256
Aspalathin,5TMS,isomer #47C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3819.0Semi standard non polar33892256
Aspalathin,5TMS,isomer #48C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3820.2Semi standard non polar33892256
Aspalathin,5TMS,isomer #49C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3841.4Semi standard non polar33892256
Aspalathin,5TMS,isomer #5C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O)C(O)C1O[Si](C)(C)C3831.1Semi standard non polar33892256
Aspalathin,5TMS,isomer #50C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3857.3Semi standard non polar33892256
Aspalathin,5TMS,isomer #51C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3853.7Semi standard non polar33892256
Aspalathin,5TMS,isomer #52C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3929.8Semi standard non polar33892256
Aspalathin,5TMS,isomer #53C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3952.6Semi standard non polar33892256
Aspalathin,5TMS,isomer #54C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3944.3Semi standard non polar33892256
Aspalathin,5TMS,isomer #55C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4008.5Semi standard non polar33892256
Aspalathin,5TMS,isomer #56C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3820.8Semi standard non polar33892256
Aspalathin,5TMS,isomer #57C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3821.9Semi standard non polar33892256
Aspalathin,5TMS,isomer #58C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3824.2Semi standard non polar33892256
Aspalathin,5TMS,isomer #59C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3844.1Semi standard non polar33892256
Aspalathin,5TMS,isomer #6C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O3821.5Semi standard non polar33892256
Aspalathin,5TMS,isomer #60C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3857.6Semi standard non polar33892256
Aspalathin,5TMS,isomer #61C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3851.8Semi standard non polar33892256
Aspalathin,5TMS,isomer #62C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3792.5Semi standard non polar33892256
Aspalathin,5TMS,isomer #63C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3805.9Semi standard non polar33892256
Aspalathin,5TMS,isomer #64C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3805.5Semi standard non polar33892256
Aspalathin,5TMS,isomer #65C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3854.6Semi standard non polar33892256
Aspalathin,5TMS,isomer #66C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3783.3Semi standard non polar33892256
Aspalathin,5TMS,isomer #67C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3798.0Semi standard non polar33892256
Aspalathin,5TMS,isomer #68C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3797.0Semi standard non polar33892256
Aspalathin,5TMS,isomer #69C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3850.4Semi standard non polar33892256
Aspalathin,5TMS,isomer #7C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O3820.5Semi standard non polar33892256
Aspalathin,5TMS,isomer #70C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3954.7Semi standard non polar33892256
Aspalathin,5TMS,isomer #71C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=C1C(=O)CCC1=CC=C(O)C(O)=C13957.4Semi standard non polar33892256
Aspalathin,5TMS,isomer #72C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C(=O)CCC1=CC=C(O)C(O)=C13905.2Semi standard non polar33892256
Aspalathin,5TMS,isomer #73C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O)C=C1O3848.7Semi standard non polar33892256
Aspalathin,5TMS,isomer #74C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O)=CC=C1O3840.7Semi standard non polar33892256
Aspalathin,5TMS,isomer #75C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C(=O)CCC1=CC=C(O)C(O)=C13895.3Semi standard non polar33892256
Aspalathin,5TMS,isomer #76C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)C=C1O3834.3Semi standard non polar33892256
Aspalathin,5TMS,isomer #77C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)=CC=C1O3823.6Semi standard non polar33892256
Aspalathin,5TMS,isomer #78C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O3851.2Semi standard non polar33892256
Aspalathin,5TMS,isomer #79C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC=C1O3847.1Semi standard non polar33892256
Aspalathin,5TMS,isomer #8C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O3837.0Semi standard non polar33892256
Aspalathin,5TMS,isomer #80C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O)C=C1O[Si](C)(C)C3888.1Semi standard non polar33892256
Aspalathin,5TMS,isomer #81C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)C=C1O3830.9Semi standard non polar33892256
Aspalathin,5TMS,isomer #82C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O3805.8Semi standard non polar33892256
Aspalathin,5TMS,isomer #83C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O)C=C1O[Si](C)(C)C3847.7Semi standard non polar33892256
Aspalathin,5TMS,isomer #84C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O3801.3Semi standard non polar33892256
Aspalathin,5TMS,isomer #85C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)C=C1O[Si](C)(C)C3833.9Semi standard non polar33892256
Aspalathin,5TMS,isomer #86C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C3858.4Semi standard non polar33892256
Aspalathin,5TMS,isomer #87C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)=CC=C1O3819.8Semi standard non polar33892256
Aspalathin,5TMS,isomer #88C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC=C1O3796.7Semi standard non polar33892256
Aspalathin,5TMS,isomer #89C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC=C1O3787.1Semi standard non polar33892256
Aspalathin,5TMS,isomer #9C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O)C1O[Si](C)(C)C3829.0Semi standard non polar33892256
Aspalathin,5TMS,isomer #90C[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3914.9Semi standard non polar33892256
Aspalathin,5TMS,isomer #91C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C(=O)CCC1=CC=C(O)C(O)=C13969.5Semi standard non polar33892256
Aspalathin,5TMS,isomer #92C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)C=C1O3895.1Semi standard non polar33892256
Aspalathin,5TMS,isomer #93C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)=CC=C1O3888.0Semi standard non polar33892256
Aspalathin,5TMS,isomer #94C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O3842.6Semi standard non polar33892256
Aspalathin,5TMS,isomer #95C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC=C1O3837.0Semi standard non polar33892256
Aspalathin,5TMS,isomer #96C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O)C=C1O[Si](C)(C)C3903.4Semi standard non polar33892256
Aspalathin,5TMS,isomer #97C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O3836.1Semi standard non polar33892256
Aspalathin,5TMS,isomer #98C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC=C1O3826.5Semi standard non polar33892256
Aspalathin,5TMS,isomer #99C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)C=C1O[Si](C)(C)C3890.7Semi standard non polar33892256
Aspalathin,6TMS,isomer #1C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O3840.9Semi standard non polar33892256
Aspalathin,6TMS,isomer #10C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3782.6Semi standard non polar33892256
Aspalathin,6TMS,isomer #11C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3770.5Semi standard non polar33892256
Aspalathin,6TMS,isomer #12C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3789.0Semi standard non polar33892256
Aspalathin,6TMS,isomer #13C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3771.0Semi standard non polar33892256
Aspalathin,6TMS,isomer #14C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3769.2Semi standard non polar33892256
Aspalathin,6TMS,isomer #15C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3787.4Semi standard non polar33892256
Aspalathin,6TMS,isomer #16C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3770.3Semi standard non polar33892256
Aspalathin,6TMS,isomer #17C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3832.1Semi standard non polar33892256
Aspalathin,6TMS,isomer #18C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3854.4Semi standard non polar33892256
Aspalathin,6TMS,isomer #19C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3841.1Semi standard non polar33892256
Aspalathin,6TMS,isomer #2C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O3820.5Semi standard non polar33892256
Aspalathin,6TMS,isomer #20C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3898.5Semi standard non polar33892256
Aspalathin,6TMS,isomer #21C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3798.6Semi standard non polar33892256
Aspalathin,6TMS,isomer #22C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3815.0Semi standard non polar33892256
Aspalathin,6TMS,isomer #23C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3797.5Semi standard non polar33892256
Aspalathin,6TMS,isomer #24C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3795.9Semi standard non polar33892256
Aspalathin,6TMS,isomer #25C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3812.5Semi standard non polar33892256
Aspalathin,6TMS,isomer #26C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3797.1Semi standard non polar33892256
Aspalathin,6TMS,isomer #27C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3755.5Semi standard non polar33892256
Aspalathin,6TMS,isomer #28C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3769.9Semi standard non polar33892256
Aspalathin,6TMS,isomer #29C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3760.4Semi standard non polar33892256
Aspalathin,6TMS,isomer #3C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O3829.7Semi standard non polar33892256
Aspalathin,6TMS,isomer #30C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3782.5Semi standard non polar33892256
Aspalathin,6TMS,isomer #31C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3735.3Semi standard non polar33892256
Aspalathin,6TMS,isomer #32C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3751.6Semi standard non polar33892256
Aspalathin,6TMS,isomer #33C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3740.8Semi standard non polar33892256
Aspalathin,6TMS,isomer #34C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3767.9Semi standard non polar33892256
Aspalathin,6TMS,isomer #35C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3863.1Semi standard non polar33892256
Aspalathin,6TMS,isomer #36C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3836.1Semi standard non polar33892256
Aspalathin,6TMS,isomer #37C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3835.5Semi standard non polar33892256
Aspalathin,6TMS,isomer #38C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3835.6Semi standard non polar33892256
Aspalathin,6TMS,isomer #39C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3847.7Semi standard non polar33892256
Aspalathin,6TMS,isomer #4C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O)C1O[Si](C)(C)C3820.6Semi standard non polar33892256
Aspalathin,6TMS,isomer #40C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3863.8Semi standard non polar33892256
Aspalathin,6TMS,isomer #41C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3850.6Semi standard non polar33892256
Aspalathin,6TMS,isomer #42C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3793.2Semi standard non polar33892256
Aspalathin,6TMS,isomer #43C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3806.6Semi standard non polar33892256
Aspalathin,6TMS,isomer #44C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3795.6Semi standard non polar33892256
Aspalathin,6TMS,isomer #45C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3840.4Semi standard non polar33892256
Aspalathin,6TMS,isomer #46C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3776.5Semi standard non polar33892256
Aspalathin,6TMS,isomer #47C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3792.2Semi standard non polar33892256
Aspalathin,6TMS,isomer #48C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3777.8Semi standard non polar33892256
Aspalathin,6TMS,isomer #49C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3831.8Semi standard non polar33892256
Aspalathin,6TMS,isomer #5C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3782.8Semi standard non polar33892256
Aspalathin,6TMS,isomer #50C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3928.5Semi standard non polar33892256
Aspalathin,6TMS,isomer #51C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3805.3Semi standard non polar33892256
Aspalathin,6TMS,isomer #52C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3819.7Semi standard non polar33892256
Aspalathin,6TMS,isomer #53C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3804.8Semi standard non polar33892256
Aspalathin,6TMS,isomer #54C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3849.6Semi standard non polar33892256
Aspalathin,6TMS,isomer #55C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3793.9Semi standard non polar33892256
Aspalathin,6TMS,isomer #56C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3784.3Semi standard non polar33892256
Aspalathin,6TMS,isomer #57C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C(=O)CCC1=CC=C(O)C(O)=C13861.4Semi standard non polar33892256
Aspalathin,6TMS,isomer #58C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)C=C1O3794.5Semi standard non polar33892256
Aspalathin,6TMS,isomer #59C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)=CC=C1O3784.2Semi standard non polar33892256
Aspalathin,6TMS,isomer #6C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3803.9Semi standard non polar33892256
Aspalathin,6TMS,isomer #60C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O3785.2Semi standard non polar33892256
Aspalathin,6TMS,isomer #61C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC=C1O3773.9Semi standard non polar33892256
Aspalathin,6TMS,isomer #62C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O)C=C1O[Si](C)(C)C3830.2Semi standard non polar33892256
Aspalathin,6TMS,isomer #63C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O3774.2Semi standard non polar33892256
Aspalathin,6TMS,isomer #64C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC=C1O3759.4Semi standard non polar33892256
Aspalathin,6TMS,isomer #65C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)C=C1O[Si](C)(C)C3812.4Semi standard non polar33892256
Aspalathin,6TMS,isomer #66C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C3856.0Semi standard non polar33892256
Aspalathin,6TMS,isomer #67C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O3760.3Semi standard non polar33892256
Aspalathin,6TMS,isomer #68C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)C=C1O[Si](C)(C)C3813.8Semi standard non polar33892256
Aspalathin,6TMS,isomer #69C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C3799.6Semi standard non polar33892256
Aspalathin,6TMS,isomer #7C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3783.1Semi standard non polar33892256
Aspalathin,6TMS,isomer #70C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C3788.5Semi standard non polar33892256
Aspalathin,6TMS,isomer #71C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC=C1O3744.8Semi standard non polar33892256
Aspalathin,6TMS,isomer #72C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O3816.6Semi standard non polar33892256
Aspalathin,6TMS,isomer #73C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC=C1O3801.2Semi standard non polar33892256
Aspalathin,6TMS,isomer #74C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)C=C1O[Si](C)(C)C3882.6Semi standard non polar33892256
Aspalathin,6TMS,isomer #75C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C3842.6Semi standard non polar33892256
Aspalathin,6TMS,isomer #76C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C3834.6Semi standard non polar33892256
Aspalathin,6TMS,isomer #77C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C3831.7Semi standard non polar33892256
Aspalathin,6TMS,isomer #78C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)C=C1O3781.9Semi standard non polar33892256
Aspalathin,6TMS,isomer #79C[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)=CC=C1O3767.4Semi standard non polar33892256
Aspalathin,6TMS,isomer #8C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3782.2Semi standard non polar33892256
Aspalathin,6TMS,isomer #80C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O)C=C1O[Si](C)(C)C3816.1Semi standard non polar33892256
Aspalathin,6TMS,isomer #81C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C3794.9Semi standard non polar33892256
Aspalathin,6TMS,isomer #82C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C3838.4Semi standard non polar33892256
Aspalathin,6TMS,isomer #83C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C3843.2Semi standard non polar33892256
Aspalathin,6TMS,isomer #84C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C3847.3Semi standard non polar33892256
Aspalathin,6TMS,isomer #9C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3799.2Semi standard non polar33892256
Aspalathin,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C(O)C1O4405.7Semi standard non polar33892256
Aspalathin,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)OC(CO)C(O)C1O4468.4Semi standard non polar33892256
Aspalathin,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C1O4475.6Semi standard non polar33892256
Aspalathin,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C1O4454.7Semi standard non polar33892256
Aspalathin,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=C1C1OC(CO)C(O)C(O)C1O4463.2Semi standard non polar33892256
Aspalathin,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O)C2O)C(O)=C1C(=O)CCC1=CC=C(O)C(O)=C14468.2Semi standard non polar33892256
Aspalathin,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O)=CC=C1O4430.6Semi standard non polar33892256
Aspalathin,1TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O)C=C1O4458.3Semi standard non polar33892256
Aspalathin,1TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(CO)C(O)C(O)C1O4455.1Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C(O)C1O4572.4Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=C1C(=O)CCC1=CC=C(O)C(O)=C14615.8Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2O)C=C1O4553.0Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2O)=CC=C1O4523.5Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4592.9Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C(C)(C)C)C1O4565.3Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1C(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C4583.9Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C1O[Si](C)(C)C(C)(C)C4567.9Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4567.0Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)=C1C(=O)CCC1=CC=C(O)C(O)=C14602.2Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2O)C=C1O4529.1Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C(O)C1O4595.9Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2O)=CC=C1O4498.7Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4576.6Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4567.2Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)=C1C(=O)CCC1=CC=C(O)C(O)=C14592.7Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2O)C=C1O4528.4Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2O)=CC=C1O4501.0Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4580.4Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C(C2OC(CO)C(O)C(O)C2O)C(O)=C1C(=O)CCC1=CC=C(O)C(O)=C14635.0Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C2O)C=C1O4613.9Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C2O)=CC=C1O4581.0Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=C2O)C(O)C(O)C1O4540.3Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O)C1O4653.2Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=C1C(=O)CCC1=CC=C(O)C(O)=C14671.1Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O)C=C1O4641.6Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O)=CC=C1O4611.3Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O[Si](C)(C)C(C)(C)C)=CC=C1O4603.4Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O)C=C1O[Si](C)(C)C(C)(C)C4581.2Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #36CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O[Si](C)(C)C(C)(C)C)C=C1O4624.3Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=C2O)C(O)C(O)C1O4514.5Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4588.8Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4560.2Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4551.5Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4537.2Semi standard non polar33892256
Aspalathin,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4587.8Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C(O)C1O4748.9Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4756.0Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4736.3Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4730.2Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4710.7Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=C2O)C(O)C(O)C1O4673.0Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4682.3Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4634.8Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4642.0Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4627.3Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4659.7Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=C2O)C(O)C(O)C1O4695.5Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4612.7Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4610.0Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4603.6Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4685.5Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4681.6Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4671.1Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4675.8Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4688.9Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4676.2Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=C1C(=O)CCC1=CC=C(O)C(O)=C14753.4Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=C2O)C(O)C(O)C1O4662.6Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2O)C=C1O4706.3Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2O)=CC=C1O4670.4Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4748.2Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4681.0Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4681.3Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=C1C(=O)CCC1=CC=C(O)C(O)=C14720.0Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #36CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)=C1C(=O)CCC1=CC=C(O)C(O)=C14719.3Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #37CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1C(=O)CCC1=CC=C(O)C(O)=C14766.8Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #38CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2O)C=C1O4739.3Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #39CC(C)(C)[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2O)=CC=C1O4709.6Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4728.6Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #40CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=C2O)C=C1O4631.8Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #41CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C2O)C=C1O4638.4Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #42CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2O[Si](C)(C)C(C)(C)C)C=C1O4700.8Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #43CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2O)C=C1O[Si](C)(C)C(C)(C)C4688.4Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #44CC(C)(C)[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=C2O)=CC=C1O4601.6Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #45CC(C)(C)[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C2O)=CC=C1O4609.8Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #46CC(C)(C)[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2O[Si](C)(C)C(C)(C)C)=CC=C1O4675.3Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #47CC(C)(C)[Si](C)(C)OC1=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4677.3Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #48CC(C)(C)[Si](C)(C)OC1=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4677.9Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #49CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4672.4Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4696.8Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #50CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4672.9Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #51CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)=C1C(=O)CCC1=CC=C(O)C(O)=C14708.2Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #52CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=C2O)C=C1O4634.0Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #53CC(C)(C)[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=C2O)=CC=C1O4605.2Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #54CC(C)(C)[Si](C)(C)OC1=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4665.4Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #55CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)=C1C(=O)CCC1=CC=C(O)C(O)=C14736.5Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #56CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2O)C=C1O4691.1Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #57CC(C)(C)[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2O)=CC=C1O4661.7Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #58CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4723.7Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #59CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)=C1C(=O)CCC1=CC=C(O)C(O)=C14747.2Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4696.2Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #60CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2O)C=C1O4711.3Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #61CC(C)(C)[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2O)=CC=C1O4679.1Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #62CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2O[Si](C)(C)C(C)(C)C)C=C1O4674.4Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #63CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2O)C=C1O[Si](C)(C)C(C)(C)C4656.3Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #64CC(C)(C)[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2O[Si](C)(C)C(C)(C)C)=CC=C1O4650.2Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #65CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)=C1C(=O)CCC1=CC=C(O)C(O)=C14732.5Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #66CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2O)C=C1O4685.1Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #67CC(C)(C)[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2O)=CC=C1O4652.1Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #68CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4723.2Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #69CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=C1C(=O)CCC1=CC=C(O)C(O)=C14749.9Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C(=O)CCC3=CC=C(O)C(O)=C3)=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4683.0Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #70CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2O)C=C1O4708.9Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #71CC(C)(C)[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2O)=CC=C1O4678.1Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #72CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2O[Si](C)(C)C(C)(C)C)C=C1O4672.7Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #73CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2O)C=C1O[Si](C)(C)C(C)(C)C4659.9Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #74CC(C)(C)[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2O[Si](C)(C)C(C)(C)C)=CC=C1O4646.7Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #75CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C(C2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=C1C(=O)CCC1=CC=C(O)C(O)=C14828.6Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #76CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C2O)C=C1O4805.6Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #77CC(C)(C)[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C2O)=CC=C1O4766.3Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #78CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C2O[Si](C)(C)C(C)(C)C)C=C1O4789.9Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #79CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C2O)C=C1O[Si](C)(C)C(C)(C)C4773.9Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C(=O)CCC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=C2O)C(O)C(O)C1O4725.3Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #80CC(C)(C)[Si](C)(C)OC1=CC(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C2O[Si](C)(C)C(C)(C)C)=CC=C1O4755.6Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #81CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O[Si](C)(C)C(C)(C)C)C=C1O4831.0Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #82CC(C)(C)[Si](C)(C)OC1=CC(CCC(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O[Si](C)(C)C(C)(C)C)=CC=C1O4805.2Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #83CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O)C=C1O[Si](C)(C)C(C)(C)C4806.6Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #84CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C4770.8Semi standard non polar33892256
Aspalathin,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C(=O)CCC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=C2O)C(O)C(O)C1O4695.7Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Aspalathin GC-MS (Non-derivatized) - 70eV, Positivesplash10-0uk9-3319300000-45376cbf9a2d6e1a77392017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspalathin GC-MS (3 TMS) - 70eV, Positivesplash10-0udi-1503239000-a78101e94cc6cb2a02ea2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspalathin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspalathin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspalathin GC-MS (TMS_4_70) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspalathin GC-MS (TMS_5_32) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspalathin GC-MS (TMS_5_75) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspalathin GC-MS (TMS_5_84) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspalathin GC-MS (TMS_5_89) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspalathin GC-MS (TMS_5_90) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspalathin GC-MS (TMS_6_17) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspalathin GC-MS (TMS_6_27) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspalathin GC-MS (TMS_6_31) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspalathin GC-MS (TMS_6_57) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspalathin GC-MS (TMS_6_63) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspalathin GC-MS (TMS_6_64) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspalathin GC-MS (TMS_6_67) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspalathin GC-MS (TMS_6_70) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspalathin GC-MS (TMS_6_71) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspalathin GC-MS ("Aspalathin,4TMS,#70" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Aspalathin LC-ESI-TOF , negative-QTOFsplash10-001i-0009000000-01e32f1179b48e5ee0e92017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Aspalathin LC-ESI-TOF , negative-QTOFsplash10-001i-0339000000-31d4a128639c392358602017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Aspalathin LC-ESI-TOF , negative-QTOFsplash10-0udi-0004900000-8a9fed14120bd0eec3092017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Aspalathin LC-ESI-TOF , negative-QTOFsplash10-0699-0930000000-293fd3162e6a0e0b86982017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Aspalathin LC-ESI-TOF , negative-QTOFsplash10-00n0-0900000000-317267c2e005616454de2017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aspalathin 10V, Positive-QTOFsplash10-0udr-0111900000-f0d7b6fbf0f247cee2f22016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aspalathin 20V, Positive-QTOFsplash10-00rj-2936500000-fc22621b3a633d81573b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aspalathin 40V, Positive-QTOFsplash10-0fsc-1944100000-3e2e9b1902773f1940362016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aspalathin 10V, Negative-QTOFsplash10-0udi-0122900000-ab59ac2515024cdfa74b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aspalathin 20V, Negative-QTOFsplash10-0fes-7954500000-ec312484c9eaa9c877642016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aspalathin 40V, Negative-QTOFsplash10-0006-9553000000-4620713bad1e4f20d6c12016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aspalathin 10V, Positive-QTOFsplash10-0udi-0202900000-ae0e1f2b5330590475372021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aspalathin 20V, Positive-QTOFsplash10-0fek-1903300000-9f425cbfef4422a0b51c2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aspalathin 40V, Positive-QTOFsplash10-05mk-8901100000-db87b41479ac20cb8eb52021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aspalathin 10V, Negative-QTOFsplash10-0udi-0013900000-1b009e58ade9e5d281bb2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aspalathin 20V, Negative-QTOFsplash10-0pwi-1249800000-7959974db22200facb9e2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aspalathin 40V, Negative-QTOFsplash10-000i-4911100000-de95629a541dded320832021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB002810
KNApSAcK IDC00006096
Chemspider ID24846098
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkAspalathin
METLIN IDNot Available
PubChem Compound16752601
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Enzymes

Enzyme Details
1. Catechol O-methyltransferase
General function:
Involved in magnesium ion binding
Specific function:
Catalyzes the O-methylation, and thereby the inactivation, of catecholamine neurotransmitters and catechol hormones. Also shortens the biological half-lives of certain neuroactive drugs, like L-DOPA, alpha-methyl DOPA and isoproterenol.
Gene Name:
COMT
Uniprot ID:
P21964
Molecular weight:
30036.77
Reactions
Aspalathin → 3-(4-hydroxy-3-methoxyphenyl)-1-{2,4,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}propan-1-onedetails
Enzyme Details
2. Sulfotransferase family cytosolic 2B member 1
General function:
Involved in sulfotransferase activity
Specific function:
Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) as sulfonate donor to catalyze the sulfate conjugation of many hormones, neurotransmitters, drugs and xenobiotic compounds. Sulfonation increases the water solubility of most compounds, and therefore their renal excretion, but it can also result in bioactivation to form active metabolites. Sulfates hydroxysteroids like DHEA. Isoform 1 preferentially sulfonates cholesterol, and isoform 2 avidly sulfonates pregnenolone but not cholesterol.
Gene Name:
SULT2B1
Uniprot ID:
O00204
Molecular weight:
39598.595
Reactions
Aspalathin → [(6-{3-[3-(3,4-dihydroxyphenyl)propanoyl]-2,4,6-trihydroxyphenyl}-3,4,5-trihydroxyoxan-2-yl)methoxy]sulfonic aciddetails
Aspalathin → (6-{3-[3-(3,4-dihydroxyphenyl)propanoyl]-2,4,6-trihydroxyphenyl}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxidanesulfonic aciddetails
Aspalathin → (2-{3-[3-(3,4-dihydroxyphenyl)propanoyl]-2,4,6-trihydroxyphenyl}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxidanesulfonic aciddetails
Aspalathin → (2-{3-[3-(3,4-dihydroxyphenyl)propanoyl]-2,4,6-trihydroxyphenyl}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxidanesulfonic aciddetails
Enzyme Details
3. UDP-glucuronosyltransferase 1-1
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:
UGT1A1
Uniprot ID:
P22309
Molecular weight:
59590.91
Reactions
Aspalathin → 6-{2-[3-(3,4-dihydroxyphenyl)propanoyl]-3,5-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
Aspalathin → 3,4,5-trihydroxy-6-[2-hydroxy-4-(3-oxo-3-{2,4,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}propyl)phenoxy]oxane-2-carboxylic aciddetails
Aspalathin → 3,4,5-trihydroxy-6-[2-hydroxy-5-(3-oxo-3-{2,4,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}propyl)phenoxy]oxane-2-carboxylic aciddetails
Aspalathin → 6-{2-[3-(3,4-dihydroxyphenyl)propanoyl]-3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
Aspalathin → 6-{4-[3-(3,4-dihydroxyphenyl)propanoyl]-3,5-dihydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
Enzyme Details
4. Sulfotransferase 1A3
General function:
sulfotransferase activity
Specific function:
Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) as sulfonate donor to catalyze the sulfate conjugation of phenolic monoamines (neurotransmitters such as dopamine, norepinephrine and serotonin) and phenolic and catechol drugs.
Gene Name:
SULT1A3
Uniprot ID:
P0DMM9
Molecular weight:
34195.96
Reactions
Aspalathin → [2-hydroxy-5-(3-oxo-3-{2,4,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}propyl)phenyl]oxidanesulfonic aciddetails