Hmdb loader

Showing metabocard for 2,6-Digalloylglucose (HMDB0039181)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 00:33:03 UTC
Update Date2022-03-07 02:56:06 UTC
HMDB IDHMDB0039181
Secondary Accession Numbers
  • HMDB39181
Metabolite Identification
Common Name2,6-Digalloylglucose
Description2,6-Digalloylglucose belongs to the class of organic compounds known as galloyl esters. These are organic compounds that contain an ester derivative of 3,4,5-trihydroxybenzoic acid. 2,6-Digalloylglucose has been detected, but not quantified in, green vegetables. This could make 2,6-digalloylglucose a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 2,6-Digalloylglucose.
Structure
Data?1563863327
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0039181 (2,6-Digalloylglucose)


  Mrv0541 05061310552D          

 34 36  0  0  0  0            999 V2000
   -2.8579    0.8250    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
   -9.2881    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737    5.7750    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
   -3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    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
  -10.0026    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0026    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    4.5375    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
   -7.8592    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881    7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  1  0  0  0  0
 11  4  2  0  0  0  0
 12  5  1  0  0  0  0
 13  8  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  2  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18  6  1  0  0  0  0
 19  7  1  0  0  0  0
 20 17  1  0  0  0  0
 21  8  1  0  0  0  0
 22  9  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25 13  1  0  0  0  0
 26 14  1  0  0  0  0
 27 15  1  0  0  0  0
 28 16  1  0  0  0  0
 29 18  2  0  0  0  0
 30 19  2  0  0  0  0
 31 20  1  0  0  0  0
 32  5  1  0  0  0  0
 32 18  1  0  0  0  0
 33 12  1  0  0  0  0
 33 20  1  0  0  0  0
 34 17  1  0  0  0  0
 34 19  1  0  0  0  0
M  END
Download

3D MOL for HMDB0039181 (2,6-Digalloylglucose)

HMDB0039181
     RDKit          3D
2,6-Digalloylglucose
 54 56  0  0  0  0  0  0  0  0999 V2000
    4.0521    1.9599   -1.0352 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0946    0.9947   -0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0190    0.8258    0.6232 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8751    1.6492    0.6675 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0969    1.6892   -0.6128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6283    0.4587   -1.0125 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3380   -0.0811   -0.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8970   -1.1799   -0.8951 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4881    0.8743    0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7338    0.2758   -0.0806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125    0.2580    0.9895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3019    0.7787    2.0952 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9389   -0.3645    0.8869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8142   -0.3834    1.9496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0627   -0.9702    1.8505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9632   -1.0028    2.9059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4315   -1.5469    0.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6664   -2.1511    0.4913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5810   -1.5462   -0.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9635   -2.1300   -1.6215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3276   -0.9470   -0.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2966    2.0343   -0.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0006    1.5042   -2.2012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0026    2.7185   -0.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2158    3.8491   -1.2384 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2484    0.0918   -0.2165 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2955    0.2996   -1.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4039   -0.5566   -1.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4703   -0.3646   -1.9506 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4743   -1.6358   -0.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5969   -2.4512   -0.2376 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -1.8294    0.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4957   -2.9014    1.5371 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3299   -0.9651    0.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2494    1.2768    1.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2248    2.6640    0.9482 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7685    2.0708   -1.4069 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1272   -0.4535    0.7108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4693   -2.0150   -0.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3725    1.2774    1.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5038    0.0759    2.8784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7209   -0.5863    3.7981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3023   -2.1629    1.2688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8719   -2.5531   -1.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6864   -0.9583   -1.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1426    2.7179   -0.9391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7055    0.8486   -2.4880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1719    2.9793    0.5995 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5989    3.5345   -2.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2697    1.1365   -1.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4133    0.4181   -2.5868 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6956   -3.2456    0.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8083   -3.1533    2.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960   -1.1262    1.3289 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  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  2  0
  9 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
  2 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  2  0
 24  5  1  0
 34 26  1  0
 21 13  1  0
  4 35  1  0
  4 36  1  0
  5 37  1  0
  7 38  1  0
  8 39  1  0
  9 40  1  0
 14 41  1  0
 16 42  1  0
 18 43  1  0
 20 44  1  0
 21 45  1  0
 22 46  1  0
 23 47  1  0
 24 48  1  0
 25 49  1  0
 27 50  1  0
 29 51  1  0
 31 52  1  0
 33 53  1  0
 34 54  1  0
M  END
Download

3D SDF for HMDB0039181 (2,6-Digalloylglucose)


  Mrv0541 05061310552D          

 34 36  0  0  0  0            999 V2000
   -2.8579    0.8250    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
   -9.2881    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737    5.7750    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
   -3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    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
  -10.0026    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0026    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    4.5375    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
   -7.8592    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881    7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  1  0  0  0  0
 11  4  2  0  0  0  0
 12  5  1  0  0  0  0
 13  8  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  2  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18  6  1  0  0  0  0
 19  7  1  0  0  0  0
 20 17  1  0  0  0  0
 21  8  1  0  0  0  0
 22  9  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25 13  1  0  0  0  0
 26 14  1  0  0  0  0
 27 15  1  0  0  0  0
 28 16  1  0  0  0  0
 29 18  2  0  0  0  0
 30 19  2  0  0  0  0
 31 20  1  0  0  0  0
 32  5  1  0  0  0  0
 32 18  1  0  0  0  0
 33 12  1  0  0  0  0
 33 20  1  0  0  0  0
 34 17  1  0  0  0  0
 34 19  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039181

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C20H20O14/c21-8-1-6(2-9(22)13(8)25)18(29)32-5-12-15(27)16(28)17(20(31)33-12)34-19(30)7-3-10(23)14(26)11(24)4-7/h1-4,12,15-17,20-28,31H,5H2

> <INCHI_KEY>
BEBILMUEQSTMNU-UHFFFAOYSA-N

> <FORMULA>
C20H20O14

> <MOLECULAR_WEIGHT>
484.3644

> <EXACT_MASS>
484.085305348

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
45.03169500012814

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[3,4,6-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

> <ALOGPS_LOGP>
0.66

> <JCHEM_LOGP>
0.2366685493333335

> <ALOGPS_LOGS>
-2.35

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.404721328783946

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.803478216177217

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6935969579639423

> <JCHEM_POLAR_SURFACE_AREA>
243.89999999999995

> <JCHEM_REFRACTIVITY>
107.45279999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.19e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[3,4,6-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0039181 (2,6-Digalloylglucose)

HMDB0039181
     RDKit          3D
2,6-Digalloylglucose
 54 56  0  0  0  0  0  0  0  0999 V2000
    4.0521    1.9599   -1.0352 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0946    0.9947   -0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0190    0.8258    0.6232 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8751    1.6492    0.6675 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0969    1.6892   -0.6128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6283    0.4587   -1.0125 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3380   -0.0811   -0.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8970   -1.1799   -0.8951 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4881    0.8743    0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7338    0.2758   -0.0806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125    0.2580    0.9895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3019    0.7787    2.0952 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9389   -0.3645    0.8869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8142   -0.3834    1.9496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0627   -0.9702    1.8505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9632   -1.0028    2.9059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4315   -1.5469    0.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6664   -2.1511    0.4913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5810   -1.5462   -0.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9635   -2.1300   -1.6215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3276   -0.9470   -0.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2966    2.0343   -0.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0006    1.5042   -2.2012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0026    2.7185   -0.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2158    3.8491   -1.2384 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2484    0.0918   -0.2165 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2955    0.2996   -1.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4039   -0.5566   -1.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4703   -0.3646   -1.9506 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4743   -1.6358   -0.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5969   -2.4512   -0.2376 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -1.8294    0.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4957   -2.9014    1.5371 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3299   -0.9651    0.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2494    1.2768    1.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2248    2.6640    0.9482 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7685    2.0708   -1.4069 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1272   -0.4535    0.7108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4693   -2.0150   -0.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3725    1.2774    1.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5038    0.0759    2.8784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7209   -0.5863    3.7981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3023   -2.1629    1.2688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8719   -2.5531   -1.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6864   -0.9583   -1.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1426    2.7179   -0.9391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7055    0.8486   -2.4880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1719    2.9793    0.5995 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5989    3.5345   -2.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2697    1.1365   -1.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4133    0.4181   -2.5868 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6956   -3.2456    0.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8083   -3.1533    2.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960   -1.1262    1.3289 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  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  2  0
  9 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
  2 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  2  0
 24  5  1  0
 34 26  1  0
 21 13  1  0
  4 35  1  0
  4 36  1  0
  5 37  1  0
  7 38  1  0
  8 39  1  0
  9 40  1  0
 14 41  1  0
 16 42  1  0
 18 43  1  0
 20 44  1  0
 21 45  1  0
 22 46  1  0
 23 47  1  0
 24 48  1  0
 25 49  1  0
 27 50  1  0
 29 51  1  0
 31 52  1  0
 33 53  1  0
 34 54  1  0
M  END
Download

PDB for HMDB0039181 (2,6-Digalloylglucose)

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   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -8.002   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -17.338   8.470   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -16.004  10.780   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -8.002   6.160   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -6.668   2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -16.004   9.240   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -5.335   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -8.002   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -18.672   9.240   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -17.338  11.550   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -9.336   6.930   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0     -18.672  10.780   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -9.336   8.470   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0     -10.669   9.240   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0     -12.003   8.470   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -6.668   3.850   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0     -14.671   8.470   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0     -12.003   6.930   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0     -20.005   8.470   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0     -17.338  13.090   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -6.668  -2.310   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0     -20.005  11.550   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -8.002   9.240   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0     -10.669  10.780   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -5.335   4.620   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0     -14.671   6.930   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0     -13.337   6.160   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -8.002   4.620   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0     -10.669   6.160   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0     -13.337   9.240   0.000  0.00  0.00           O+0
CONECT    1    6    8                                                       
CONECT    2    6    9                                                       
CONECT    3    7   10                                                       
CONECT    4    7   11                                                       
CONECT    5   12   32                                                       
CONECT    6    1    2   18                                                  
CONECT    7    3    4   19                                                  
CONECT    8    1   13   21                                                  
CONECT    9    2   13   22                                                  
CONECT   10    3   14   23                                                  
CONECT   11    4   14   24                                                  
CONECT   12    5   15   33                                                  
CONECT   13    8    9   25                                                  
CONECT   14   10   11   26                                                  
CONECT   15   12   16   27                                                  
CONECT   16   15   17   28                                                  
CONECT   17   16   20   34                                                  
CONECT   18    6   29   32                                                  
CONECT   19    7   30   34                                                  
CONECT   20   17   31   33                                                  
CONECT   21    8                                                            
CONECT   22    9                                                            
CONECT   23   10                                                            
CONECT   24   11                                                            
CONECT   25   13                                                            
CONECT   26   14                                                            
CONECT   27   15                                                            
CONECT   28   16                                                            
CONECT   29   18                                                            
CONECT   30   19                                                            
CONECT   31   20                                                            
CONECT   32    5   18                                                       
CONECT   33   12   20                                                       
CONECT   34   17   19                                                       
MASTER        0    0    0    0    0    0    0    0   34    0   72    0
END
Download

3D PDB for HMDB0039181 (2,6-Digalloylglucose)

COMPND    HMDB0039181
HETATM    1  O1  UNL     1       4.052   1.960  -1.035  1.00  0.00           O  
HETATM    2  C1  UNL     1       4.095   0.995  -0.232  1.00  0.00           C  
HETATM    3  O2  UNL     1       3.019   0.826   0.623  1.00  0.00           O  
HETATM    4  C2  UNL     1       1.875   1.649   0.668  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.097   1.689  -0.613  1.00  0.00           C  
HETATM    6  O3  UNL     1       0.628   0.459  -1.013  1.00  0.00           O  
HETATM    7  C4  UNL     1      -0.338  -0.081  -0.203  1.00  0.00           C  
HETATM    8  O4  UNL     1      -0.897  -1.180  -0.895  1.00  0.00           O  
HETATM    9  C5  UNL     1      -1.488   0.874   0.056  1.00  0.00           C  
HETATM   10  O5  UNL     1      -2.734   0.276  -0.081  1.00  0.00           O  
HETATM   11  C6  UNL     1      -3.613   0.258   0.990  1.00  0.00           C  
HETATM   12  O6  UNL     1      -3.302   0.779   2.095  1.00  0.00           O  
HETATM   13  C7  UNL     1      -4.939  -0.365   0.887  1.00  0.00           C  
HETATM   14  C8  UNL     1      -5.814  -0.383   1.950  1.00  0.00           C  
HETATM   15  C9  UNL     1      -7.063  -0.970   1.851  1.00  0.00           C  
HETATM   16  O7  UNL     1      -7.963  -1.003   2.906  1.00  0.00           O  
HETATM   17  C10 UNL     1      -7.432  -1.547   0.658  1.00  0.00           C  
HETATM   18  O8  UNL     1      -8.666  -2.151   0.491  1.00  0.00           O  
HETATM   19  C11 UNL     1      -6.581  -1.546  -0.426  1.00  0.00           C  
HETATM   20  O9  UNL     1      -6.963  -2.130  -1.621  1.00  0.00           O  
HETATM   21  C12 UNL     1      -5.328  -0.947  -0.297  1.00  0.00           C  
HETATM   22  C13 UNL     1      -1.297   2.034  -0.930  1.00  0.00           C  
HETATM   23  O10 UNL     1      -1.001   1.504  -2.201  1.00  0.00           O  
HETATM   24  C14 UNL     1      -0.003   2.719  -0.468  1.00  0.00           C  
HETATM   25  O11 UNL     1       0.216   3.849  -1.238  1.00  0.00           O  
HETATM   26  C15 UNL     1       5.248   0.092  -0.217  1.00  0.00           C  
HETATM   27  C16 UNL     1       6.295   0.300  -1.087  1.00  0.00           C  
HETATM   28  C17 UNL     1       7.404  -0.557  -1.081  1.00  0.00           C  
HETATM   29  O12 UNL     1       8.470  -0.365  -1.951  1.00  0.00           O  
HETATM   30  C18 UNL     1       7.474  -1.636  -0.199  1.00  0.00           C  
HETATM   31  O13 UNL     1       8.597  -2.451  -0.238  1.00  0.00           O  
HETATM   32  C19 UNL     1       6.419  -1.829   0.665  1.00  0.00           C  
HETATM   33  O14 UNL     1       6.496  -2.901   1.537  1.00  0.00           O  
HETATM   34  C20 UNL     1       5.330  -0.965   0.640  1.00  0.00           C  
HETATM   35  H1  UNL     1       1.249   1.277   1.528  1.00  0.00           H  
HETATM   36  H2  UNL     1       2.225   2.664   0.948  1.00  0.00           H  
HETATM   37  H3  UNL     1       1.768   2.071  -1.407  1.00  0.00           H  
HETATM   38  H4  UNL     1       0.127  -0.453   0.711  1.00  0.00           H  
HETATM   39  H5  UNL     1      -0.469  -2.015  -0.562  1.00  0.00           H  
HETATM   40  H6  UNL     1      -1.373   1.277   1.071  1.00  0.00           H  
HETATM   41  H7  UNL     1      -5.504   0.076   2.878  1.00  0.00           H  
HETATM   42  H8  UNL     1      -7.721  -0.586   3.798  1.00  0.00           H  
HETATM   43  H9  UNL     1      -9.302  -2.163   1.269  1.00  0.00           H  
HETATM   44  H10 UNL     1      -7.872  -2.553  -1.683  1.00  0.00           H  
HETATM   45  H11 UNL     1      -4.686  -0.958  -1.148  1.00  0.00           H  
HETATM   46  H12 UNL     1      -2.143   2.718  -0.939  1.00  0.00           H  
HETATM   47  H13 UNL     1      -1.706   0.849  -2.488  1.00  0.00           H  
HETATM   48  H14 UNL     1      -0.172   2.979   0.600  1.00  0.00           H  
HETATM   49  H15 UNL     1       0.599   3.535  -2.107  1.00  0.00           H  
HETATM   50  H16 UNL     1       6.270   1.137  -1.790  1.00  0.00           H  
HETATM   51  H17 UNL     1       8.413   0.418  -2.587  1.00  0.00           H  
HETATM   52  H18 UNL     1       8.696  -3.246   0.381  1.00  0.00           H  
HETATM   53  H19 UNL     1       5.808  -3.153   2.208  1.00  0.00           H  
HETATM   54  H20 UNL     1       4.496  -1.126   1.329  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   26
CONECT    3    4
CONECT    4    5   35   36
CONECT    5    6   24   37
CONECT    6    7
CONECT    7    8    9   38
CONECT    8   39
CONECT    9   10   22   40
CONECT   10   11
CONECT   11   12   12   13
CONECT   13   14   14   21
CONECT   14   15   41
CONECT   15   16   17   17
CONECT   16   42
CONECT   17   18   19
CONECT   18   43
CONECT   19   20   21   21
CONECT   20   44
CONECT   21   45
CONECT   22   23   24   46
CONECT   23   47
CONECT   24   25   48
CONECT   25   49
CONECT   26   27   27   34
CONECT   27   28   50
CONECT   28   29   30   30
CONECT   29   51
CONECT   30   31   32
CONECT   31   52
CONECT   32   33   34   34
CONECT   33   53
CONECT   34   54
END
Download

SMILES for HMDB0039181 (2,6-Digalloylglucose)

OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1
Download

INCHI for HMDB0039181 (2,6-Digalloylglucose)

InChI=1S/C20H20O14/c21-8-1-6(2-9(22)13(8)25)18(29)32-5-12-15(27)16(28)17(20(31)33-12)34-19(30)7-3-10(23)14(26)11(24)4-7/h1-4,12,15-17,20-28,31H,5H2
Download
View in JSmolView Stereo Labels
Synonyms
ValueSource
[3,4,6-Trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoic acidHMDB
Chemical FormulaC20H20O14
Average Molecular Weight484.3644
Monoisotopic Molecular Weight484.085305348
IUPAC Name[3,4,6-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Traditional Name[3,4,6-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
CAS Registry Number94356-20-4
SMILES
OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1
InChI Identifier
InChI=1S/C20H20O14/c21-8-1-6(2-9(22)13(8)25)18(29)32-5-12-15(27)16(28)17(20(31)33-12)34-19(30)7-3-10(23)14(26)11(24)4-7/h1-4,12,15-17,20-28,31H,5H2
InChI KeyBEBILMUEQSTMNU-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as galloyl esters. These are organic compounds that contain an ester derivative of 3,4,5-trihydroxybenzoic acid.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzoic acids and derivatives
Direct ParentGalloyl esters
Alternative Parents
Substituents
  • Galloyl ester
  • P-hydroxybenzoic acid alkyl ester
  • M-hydroxybenzoic acid ester
  • P-hydroxybenzoic acid ester
  • Benzoate ester
  • Pyrogallol derivative
  • Benzenetriol
  • Benzoyl
  • Phenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Dicarboxylic acid or derivatives
  • Monosaccharide
  • Oxane
  • Secondary alcohol
  • Hemiacetal
  • Carboxylic acid ester
  • 1,2-diol
  • Oxacycle
  • Carboxylic acid derivative
  • Organoheterocyclic compound
  • Polyol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Alcohol
  • Organic oxide
  • Organooxygen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Biological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point184 - 186 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility2.19 g/LALOGPS
logP0.66ALOGPS
logP0.24ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)7.8ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count9ChemAxon
Polar Surface Area243.9 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity107.45 m³·mol⁻¹ChemAxon
Polarizability45.03 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+209.12231661259
DarkChem[M-H]-198.48331661259
DeepCCS[M+H]+204.33130932474
DeepCCS[M-H]-201.93630932474
DeepCCS[M-2H]-234.81730932474
DeepCCS[M+Na]+210.24430932474
AllCCS[M+H]+204.932859911
AllCCS[M+H-H2O]+203.032859911
AllCCS[M+NH4]+206.732859911
AllCCS[M+Na]+207.232859911
AllCCS[M-H]-199.732859911
AllCCS[M+Na-2H]-200.332859911
AllCCS[M+HCOO]-201.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2,6-DigalloylglucoseOC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C16315.2Standard polar33892256
2,6-DigalloylglucoseOC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C14327.4Standard non polar33892256
2,6-DigalloylglucoseOC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C14497.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
2,6-Digalloylglucose,1TMS,isomer #1C[Si](C)(C)OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C14600.9Semi standard non polar33892256
2,6-Digalloylglucose,1TMS,isomer #2C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O4607.6Semi standard non polar33892256
2,6-Digalloylglucose,1TMS,isomer #3C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)C=C1O4566.7Semi standard non polar33892256
2,6-Digalloylglucose,1TMS,isomer #4C[Si](C)(C)OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O4593.9Semi standard non polar33892256
2,6-Digalloylglucose,1TMS,isomer #5C[Si](C)(C)OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C14604.9Semi standard non polar33892256
2,6-Digalloylglucose,1TMS,isomer #6C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O4609.4Semi standard non polar33892256
2,6-Digalloylglucose,1TMS,isomer #7C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)C=C1O4565.3Semi standard non polar33892256
2,6-Digalloylglucose,2TMS,isomer #1C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O4462.6Semi standard non polar33892256
2,6-Digalloylglucose,2TMS,isomer #10C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O4476.8Semi standard non polar33892256
2,6-Digalloylglucose,2TMS,isomer #11C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O4503.3Semi standard non polar33892256
2,6-Digalloylglucose,2TMS,isomer #12C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C4410.0Semi standard non polar33892256
2,6-Digalloylglucose,2TMS,isomer #13C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O4395.8Semi standard non polar33892256
2,6-Digalloylglucose,2TMS,isomer #14C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)C=C1O4348.1Semi standard non polar33892256
2,6-Digalloylglucose,2TMS,isomer #15C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)C=C1O4428.7Semi standard non polar33892256
2,6-Digalloylglucose,2TMS,isomer #16C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)C=C1O4434.9Semi standard non polar33892256
2,6-Digalloylglucose,2TMS,isomer #17C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O4479.7Semi standard non polar33892256
2,6-Digalloylglucose,2TMS,isomer #18C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)C=C1O4433.1Semi standard non polar33892256
2,6-Digalloylglucose,2TMS,isomer #19C[Si](C)(C)OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O[Si](C)(C)C4507.3Semi standard non polar33892256
2,6-Digalloylglucose,2TMS,isomer #2C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)C=C1O4424.6Semi standard non polar33892256
2,6-Digalloylglucose,2TMS,isomer #20C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O4472.2Semi standard non polar33892256
2,6-Digalloylglucose,2TMS,isomer #21C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)C=C1O4426.4Semi standard non polar33892256
2,6-Digalloylglucose,2TMS,isomer #22C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O4509.1Semi standard non polar33892256
2,6-Digalloylglucose,2TMS,isomer #23C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C4411.3Semi standard non polar33892256
2,6-Digalloylglucose,2TMS,isomer #3C[Si](C)(C)OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C14472.8Semi standard non polar33892256
2,6-Digalloylglucose,2TMS,isomer #4C[Si](C)(C)OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1OC(=O)C1=CC(O)=C(O)C(O)=C14490.3Semi standard non polar33892256
2,6-Digalloylglucose,2TMS,isomer #5C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O4465.6Semi standard non polar33892256
2,6-Digalloylglucose,2TMS,isomer #6C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)C=C1O4422.5Semi standard non polar33892256
2,6-Digalloylglucose,2TMS,isomer #7C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O4481.5Semi standard non polar33892256
2,6-Digalloylglucose,2TMS,isomer #8C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O4391.4Semi standard non polar33892256
2,6-Digalloylglucose,2TMS,isomer #9C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O4470.1Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #1C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O4253.1Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #10C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)C=C1O4275.3Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #11C[Si](C)(C)OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC(=O)C1=CC(O)=C(O)C(O)=C14383.1Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #12C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O4309.3Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #13C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)C=C1O4272.8Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #14C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O4320.1Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #15C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)C=C1O4279.8Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #16C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O4311.6Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #17C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C4251.9Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #18C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O4251.6Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #19C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O4184.8Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #2C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O4186.7Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #20C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O4257.5Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #21C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O4269.9Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #22C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O4251.2Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #23C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O4186.2Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #24C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O4174.5Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #25C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O4184.6Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #26C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O4167.2Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #27C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C4109.8Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #28C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O4353.0Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #29C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O4326.9Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #3C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O4317.7Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #30C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C4274.1Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #31C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4332.0Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #32C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C4282.4Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #33C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4298.4Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #34C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O4188.7Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #35C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O4179.0Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #36C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O4171.2Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #37C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C4112.9Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #38C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O)C=C1O4154.9Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #39C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O[Si](C)(C)C)C=C1O4171.3Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #4C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O4306.8Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #40C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O4318.3Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #41C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O4355.0Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #42C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O4334.1Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #43C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C4284.7Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #44C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O4316.3Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #45C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4327.7Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #46C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C4275.7Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #47C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4298.2Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #5C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O4309.5Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #6C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C4250.1Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #7C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O4191.7Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #8C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)C=C1O4149.9Semi standard non polar33892256
2,6-Digalloylglucose,3TMS,isomer #9C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)C=C1O4281.7Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #1C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O4125.1Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #10C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C4026.6Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #11C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O4263.5Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #12C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O4250.9Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #13C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C4208.0Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #14C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4237.3Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #15C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C4196.4Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #16C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4218.2Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #17C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O4080.6Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #18C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O4083.9Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #19C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O4065.3Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #2C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O4078.9Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #20C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C4030.9Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #21C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O)C=C1O4088.9Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #22C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O[Si](C)(C)C)C=C1O4080.5Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #23C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O4232.0Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #24C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O4267.0Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #25C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O4230.4Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #26C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O4238.4Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #27C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C4197.7Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #28C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4250.9Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #29C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C4209.0Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #3C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O4156.1Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #30C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4218.1Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #31C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O4123.4Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #32C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O4111.6Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #33C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O4118.9Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #34C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O4074.9Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #35C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O4038.1Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #36C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O4074.3Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #37C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O4085.4Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #38C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O4038.3Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #39C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C4002.3Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #4C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O4150.2Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #40C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O4189.2Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #41C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O4112.0Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #42C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O4074.4Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #43C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O4118.9Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #44C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O4086.2Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #45C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O4122.8Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #46C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O4111.8Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #47C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O4075.6Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #48C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C4046.8Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #49C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4077.2Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #5C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O4124.1Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #50C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C4053.7Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #51C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4042.4Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #52C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4277.9Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #53C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C4241.3Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #54C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4245.9Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #55C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4244.3Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #56C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O4115.2Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #57C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O4081.2Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #58C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C4058.5Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #59C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4078.2Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #6C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O4079.6Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #60C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C4051.8Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #61C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4044.1Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #62C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O4088.1Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #63C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4280.6Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #64C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C4243.0Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #65C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4244.0Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #66C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4243.0Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #7C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O4079.7Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #8C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O4076.7Semi standard non polar33892256
2,6-Digalloylglucose,4TMS,isomer #9C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O4060.7Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #1C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O4033.0Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #10C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O4100.5Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #11C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O4036.0Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #12C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O4014.6Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #13C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O4036.8Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #14C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O4013.7Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #15C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O4033.1Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #16C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O4028.9Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #17C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O4046.7Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #18C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C4029.7Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #19C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4031.6Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #2C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O4034.6Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #20C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C4015.7Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #21C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C3989.4Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #22C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4187.7Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #23C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C4149.7Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #24C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4142.0Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #25C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4142.9Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #26C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O4031.1Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #27C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O4033.0Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #28C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C4018.4Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #29C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4047.2Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #3C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O4036.6Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #30C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C4032.6Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #31C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C3991.4Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #32C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O4036.5Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #33C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4186.9Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #34C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C4151.2Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #35C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4142.3Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #36C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4142.0Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #37C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O4040.4Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #38C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O4052.6Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #39C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O4010.7Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #4C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O4021.8Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #40C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C3978.1Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #41C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O4079.0Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #42C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O4041.8Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #43C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4019.5Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #44C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4050.4Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #45C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O4027.3Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #46C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O4010.9Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #47C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O4056.2Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #48C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O4020.9Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #49C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C3985.2Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #5C[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O3995.2Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #50C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4027.7Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #51C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C3998.1Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #52C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C3976.4Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #53C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O4078.8Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #54C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O4055.8Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #55C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O4042.1Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #56C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O4053.1Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #57C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4049.8Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #58C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C4032.6Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #59C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4015.7Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #6C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O4015.2Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #60C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4023.0Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #61C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4195.8Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #62C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4052.2Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #63C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C4036.9Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #64C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4025.9Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #65C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4017.2Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #66C[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4194.9Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #7C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O4014.3Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #8C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O3994.2Semi standard non polar33892256
2,6-Digalloylglucose,5TMS,isomer #9C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C3964.1Semi standard non polar33892256
2,6-Digalloylglucose,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C14891.3Semi standard non polar33892256
2,6-Digalloylglucose,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O4850.8Semi standard non polar33892256
2,6-Digalloylglucose,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)C=C1O4863.1Semi standard non polar33892256
2,6-Digalloylglucose,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O4875.3Semi standard non polar33892256
2,6-Digalloylglucose,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C14871.1Semi standard non polar33892256
2,6-Digalloylglucose,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O4853.5Semi standard non polar33892256
2,6-Digalloylglucose,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)C=C1O4861.2Semi standard non polar33892256
2,6-Digalloylglucose,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C(C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O4961.0Semi standard non polar33892256
2,6-Digalloylglucose,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O4932.2Semi standard non polar33892256
2,6-Digalloylglucose,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O4930.1Semi standard non polar33892256
2,6-Digalloylglucose,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C4870.2Semi standard non polar33892256
2,6-Digalloylglucose,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O4861.2Semi standard non polar33892256
2,6-Digalloylglucose,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C2O)C=C1O4876.9Semi standard non polar33892256
2,6-Digalloylglucose,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O4908.2Semi standard non polar33892256
2,6-Digalloylglucose,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O4911.5Semi standard non polar33892256
2,6-Digalloylglucose,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(O)=C1O4933.5Semi standard non polar33892256
2,6-Digalloylglucose,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O4909.7Semi standard non polar33892256
2,6-Digalloylglucose,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O[Si](C)(C)C(C)(C)C5010.8Semi standard non polar33892256
2,6-Digalloylglucose,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O[Si](C)(C)C(C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)C=C1O4941.8Semi standard non polar33892256
2,6-Digalloylglucose,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O4925.4Semi standard non polar33892256
2,6-Digalloylglucose,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O4906.2Semi standard non polar33892256
2,6-Digalloylglucose,2TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O4930.1Semi standard non polar33892256
2,6-Digalloylglucose,2TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C4873.2Semi standard non polar33892256
2,6-Digalloylglucose,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C14992.6Semi standard non polar33892256
2,6-Digalloylglucose,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC(=O)C1=CC(O)=C(O)C(O)=C15015.6Semi standard non polar33892256
2,6-Digalloylglucose,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C(C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O4963.1Semi standard non polar33892256
2,6-Digalloylglucose,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(O[Si](C)(C)C(C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)C=C1O4940.1Semi standard non polar33892256
2,6-Digalloylglucose,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C2O)=CC(O)=C1O4884.0Semi standard non polar33892256
2,6-Digalloylglucose,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O4857.0Semi standard non polar33892256
2,6-Digalloylglucose,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(O)=C1O4924.1Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C(C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C2O)=CC(O)=C1O4939.2Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O[Si](C)(C)C(C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O4957.2Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC(=O)C1=CC(O)=C(O)C(O)=C15065.1Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C(C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(O)=C1O4965.5Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(O[Si](C)(C)C(C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O4955.4Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C(C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O4988.6Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(O[Si](C)(C)C(C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O4970.7Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C(C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O4996.0Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C(C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C4951.4Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C2O)=CC(O)=C1O4925.1Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C2O)=CC(O)=C1O4883.9Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C(C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O4911.3Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(O)=C1O4917.2Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O4922.8Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C2O)=CC(O)=C1O4928.5Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C2O)=CC(O)=C1O4883.8Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(O)=C1O4901.5Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O4906.9Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O4956.0Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C4908.6Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O4981.0Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O4971.6Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C(C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(O)=C1O4985.6Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C4927.9Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1O4974.3Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O[Si](C)(C)C(C)(C)C4932.1Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C4938.5Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(O)=C1O4912.3Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O4906.1Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #36CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O4956.0Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #37CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C4911.9Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #38CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O4990.5Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #39CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O4988.3Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C(C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O4961.9Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #40CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C1O4967.7Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #41CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O4985.1Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #42CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O4976.8Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #43CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C4934.4Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #44CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C1O4966.3Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #45CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1O4972.8Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #46CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O[Si](C)(C)C(C)(C)C4929.7Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #47CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C4938.4Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C(C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O4996.0Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C(C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C4949.5Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(O[Si](C)(C)C(C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O4914.7Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O[Si](C)(C)C(C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C2O)C=C1O4966.2Semi standard non polar33892256
2,6-Digalloylglucose,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O[Si](C)(C)C(C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O4972.1Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 2,6-Digalloylglucose GC-MS (Non-derivatized) - 70eV, Positivesplash10-0udi-1795300000-8c5b664f80176de526d22017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2,6-Digalloylglucose GC-MS (2 TMS) - 70eV, Positivesplash10-114i-6933715000-c4c88e66a3efa640a0f92017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2,6-Digalloylglucose GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,6-Digalloylglucose 10V, Positive-QTOFsplash10-0gbi-0817900000-0d72e819974374c2ef4b2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,6-Digalloylglucose 20V, Positive-QTOFsplash10-0uxs-0914200000-9379c5a4a1cec41a0a082016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,6-Digalloylglucose 40V, Positive-QTOFsplash10-0udi-1900000000-850f285a179cb7de4cbb2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,6-Digalloylglucose 10V, Negative-QTOFsplash10-0159-0932600000-156beaee134604f47d1d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,6-Digalloylglucose 20V, Negative-QTOFsplash10-014i-0901000000-14d5002c492103c9626f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,6-Digalloylglucose 40V, Negative-QTOFsplash10-014i-0900000000-db8968f160c9426cfa542016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,6-Digalloylglucose 10V, Positive-QTOFsplash10-0gbi-0911500000-46451c99a4b506eac24d2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,6-Digalloylglucose 20V, Positive-QTOFsplash10-0i0c-0983600000-3c2067f18dcb86043eed2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,6-Digalloylglucose 40V, Positive-QTOFsplash10-0w29-1961100000-c13e3b46bcc4b67d90c82021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,6-Digalloylglucose 10V, Negative-QTOFsplash10-00lr-0341900000-5a1dd17ed30070e183602021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,6-Digalloylglucose 20V, Negative-QTOFsplash10-0gdl-0942200000-41345ee67319e188bf622021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,6-Digalloylglucose 40V, Negative-QTOFsplash10-00or-0901100000-daf59690ec6804139d272021-09-24Wishart 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 IDFDB018709
KNApSAcK IDC00054696
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound14034261
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.. .