Hmdb loader

Showing metabocard for Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside (HMDB0039180)

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enzymes (1) Show 1 protein
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 00:32:59 UTC
Update Date2022-03-07 02:56:06 UTC
HMDB IDHMDB0039180
Secondary Accession Numbers
  • HMDB39180
Metabolite Identification
Common NameMethyl 4,6-di-O-galloyl-beta-D-glucopyranoside
DescriptionMethyl 4,6-di-O-galloyl-beta-D-glucopyranoside belongs to the class of organic compounds known as tannins. These are naturally occurring polyphenols which be categorized into four main classes: hydrolyzable tannin (based on ellagic acid or gallic acid), condensed tannins (made of oligomeric or polymeric proanthocyanidins), complex tannins (made of a catechin bound to a gallotannin or elagitannin), and phlorotannins (oligomers of phloroglucinol). Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside has been detected, but not quantified in, several different foods, such as herbs and spices, red tea, black tea, teas (Camellia sinensis), and herbal tea. This could make methyl 4,6-di-O-galloyl-beta-D-glucopyranoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside.
Structure
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0039180 (Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside)


  Mrv0541 05061310542D          

 35 37  0  0  0  0            999 V2000
   -7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
   -3.5724    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    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
   -3.5724    6.1875    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
   -2.8579    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    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
   -2.1434    7.0125    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
   -5.0013    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
   -4.2868    5.7750    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
   -2.8579    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    5.7750    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
   -1.4289    7.4250    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
   -7.1447    4.9500    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
   -5.0013    6.1875    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
   -4.2868    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  1  0  0  0  0
 14  9  2  0  0  0  0
 14 10  1  0  0  0  0
 15 11  2  0  0  0  0
 15 12  1  0  0  0  0
 17 16  1  0  0  0  0
 18 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19  7  1  0  0  0  0
 20  8  1  0  0  0  0
 21 17  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 12  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 17  1  0  0  0  0
 30 19  2  0  0  0  0
 31 20  2  0  0  0  0
 32  1  1  0  0  0  0
 32 21  1  0  0  0  0
 33  6  1  0  0  0  0
 33 19  1  0  0  0  0
 34 13  1  0  0  0  0
 34 21  1  0  0  0  0
 35 18  1  0  0  0  0
 35 20  1  0  0  0  0
M  END
Download

3D MOL for HMDB0039180 (Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside)

HMDB0039180
     RDKit          3D
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside
 57 59  0  0  0  0  0  0  0  0999 V2000
    1.8488    4.4686    0.7494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8851    3.5496    0.3988 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6656    3.4490   -0.9527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9389    2.1835   -1.3886 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0952    1.1889   -0.9369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3121    0.8082    0.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5938    0.3387    0.7597 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0776   -0.8058    0.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3873   -1.4746   -0.6687 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4306   -1.3047    0.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2736   -0.6655    1.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5612   -1.1271    1.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3924   -0.4611    2.4585 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0058   -2.2635    0.9524 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2931   -2.7452    1.2123 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1755   -2.9151    0.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6363   -4.0574   -0.5392 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8861   -2.4439   -0.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3678    1.5295   -1.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1258    0.5256   -0.5106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0235   -0.3003   -1.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1404   -0.1148   -2.4161 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7937   -1.3306   -0.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6574   -2.1022   -1.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4070   -3.0891   -0.6233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2749   -3.8680   -1.3476 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2893   -3.3053    0.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0359   -4.2868    1.3347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4169   -2.5223    1.4649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2831   -2.7231    2.8342 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750   -1.5458    0.8659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6615    2.9005   -0.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9834    3.2394   -0.6926 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7525    3.8662   -1.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0084    5.1760   -1.0342 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9275    4.4505    1.8658 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8299    4.0711    0.3724 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6264    5.4621    0.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3325    4.1515   -1.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2723    0.2974   -1.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0447    1.5700    1.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3790   -0.0694    0.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9334    0.2282    1.7928 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3195   -0.8146    2.6407 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6064   -3.5903    0.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0684   -4.5807   -1.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2838   -3.0027   -0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5584    1.5962   -2.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7858   -1.9723   -2.2972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4339   -3.7933   -2.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9428   -4.4374    2.3306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6549   -2.1677    3.3914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9804   -0.9118    1.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3396    2.9711    0.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2292    3.5694   -1.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8834    3.6374   -2.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5304    5.5637   -1.8058 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
  5 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  2  0
 19 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34  3  1  0
 18 10  1  0
 31 23  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  3 39  1  0
  5 40  1  0
  6 41  1  0
  6 42  1  0
 11 43  1  0
 13 44  1  0
 15 45  1  0
 17 46  1  0
 18 47  1  0
 19 48  1  0
 24 49  1  0
 26 50  1  0
 28 51  1  0
 30 52  1  0
 31 53  1  0
 32 54  1  0
 33 55  1  0
 34 56  1  0
 35 57  1  0
M  END
Download

3D SDF for HMDB0039180 (Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside)


  Mrv0541 05061310542D          

 35 37  0  0  0  0            999 V2000
   -7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
   -3.5724    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    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
   -3.5724    6.1875    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
   -2.8579    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    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
   -2.1434    7.0125    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
   -5.0013    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
   -4.2868    5.7750    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
   -2.8579    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    5.7750    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
   -1.4289    7.4250    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
   -7.1447    4.9500    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
   -5.0013    6.1875    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
   -4.2868    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  1  0  0  0  0
 14  9  2  0  0  0  0
 14 10  1  0  0  0  0
 15 11  2  0  0  0  0
 15 12  1  0  0  0  0
 17 16  1  0  0  0  0
 18 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19  7  1  0  0  0  0
 20  8  1  0  0  0  0
 21 17  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 12  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 17  1  0  0  0  0
 30 19  2  0  0  0  0
 31 20  2  0  0  0  0
 32  1  1  0  0  0  0
 32 21  1  0  0  0  0
 33  6  1  0  0  0  0
 33 19  1  0  0  0  0
 34 13  1  0  0  0  0
 34 21  1  0  0  0  0
 35 18  1  0  0  0  0
 35 20  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039180

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H22O14/c1-32-21-17(29)16(28)18(35-20(31)8-4-11(24)15(27)12(25)5-8)13(34-21)6-33-19(30)7-2-9(22)14(26)10(23)3-7/h2-5,13,16-18,21-29H,6H2,1H3

> <INCHI_KEY>
BTSUIPCMGZHMNV-UHFFFAOYSA-N

> <FORMULA>
C21H22O14

> <MOLECULAR_WEIGHT>
498.391

> <EXACT_MASS>
498.100955412

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
46.608756705043966

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
1.01

> <JCHEM_LOGP>
0.8797950529999998

> <ALOGPS_LOGS>
-2.41

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.40596368677984

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.804493092898801

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6936895151862297

> <JCHEM_POLAR_SURFACE_AREA>
232.89999999999995

> <JCHEM_REFRACTIVITY>
112.20399999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.92e+00 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0039180 (Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside)

HMDB0039180
     RDKit          3D
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside
 57 59  0  0  0  0  0  0  0  0999 V2000
    1.8488    4.4686    0.7494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8851    3.5496    0.3988 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6656    3.4490   -0.9527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9389    2.1835   -1.3886 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0952    1.1889   -0.9369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3121    0.8082    0.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5938    0.3387    0.7597 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0776   -0.8058    0.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3873   -1.4746   -0.6687 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4306   -1.3047    0.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2736   -0.6655    1.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5612   -1.1271    1.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3924   -0.4611    2.4585 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0058   -2.2635    0.9524 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2931   -2.7452    1.2123 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1755   -2.9151    0.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6363   -4.0574   -0.5392 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8861   -2.4439   -0.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3678    1.5295   -1.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1258    0.5256   -0.5106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0235   -0.3003   -1.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1404   -0.1148   -2.4161 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7937   -1.3306   -0.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6574   -2.1022   -1.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4070   -3.0891   -0.6233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2749   -3.8680   -1.3476 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2893   -3.3053    0.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0359   -4.2868    1.3347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4169   -2.5223    1.4649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2831   -2.7231    2.8342 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750   -1.5458    0.8659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6615    2.9005   -0.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9834    3.2394   -0.6926 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7525    3.8662   -1.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0084    5.1760   -1.0342 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9275    4.4505    1.8658 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8299    4.0711    0.3724 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6264    5.4621    0.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3325    4.1515   -1.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2723    0.2974   -1.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0447    1.5700    1.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3790   -0.0694    0.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9334    0.2282    1.7928 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3195   -0.8146    2.6407 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6064   -3.5903    0.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0684   -4.5807   -1.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2838   -3.0027   -0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5584    1.5962   -2.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7858   -1.9723   -2.2972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4339   -3.7933   -2.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9428   -4.4374    2.3306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6549   -2.1677    3.3914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9804   -0.9118    1.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3396    2.9711    0.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2292    3.5694   -1.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8834    3.6374   -2.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5304    5.5637   -1.8058 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
  5 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  2  0
 19 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34  3  1  0
 18 10  1  0
 31 23  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  3 39  1  0
  5 40  1  0
  6 41  1  0
  6 42  1  0
 11 43  1  0
 13 44  1  0
 15 45  1  0
 17 46  1  0
 18 47  1  0
 19 48  1  0
 24 49  1  0
 26 50  1  0
 28 51  1  0
 30 52  1  0
 31 53  1  0
 32 54  1  0
 33 55  1  0
 34 56  1  0
 35 57  1  0
M  END
Download

PDB for HMDB0039180 (Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside)

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     -13.337   4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -8.002   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.668  13.090   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.335  10.780   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -8.002   6.160   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -6.668   2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -6.668  11.550   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.335   0.000   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      -5.335  13.860   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.001  11.550   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -9.336   6.930   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.001  13.090   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      -9.336   8.470   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -6.668   3.850   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -8.002  10.780   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0     -12.003   6.930   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -5.335  15.400   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -2.667  10.780   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -6.668  -2.310   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -2.667  13.860   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     -13.337   9.240   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -5.335   4.620   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -9.336  11.550   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0     -13.337   6.160   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -8.002   4.620   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0     -10.669   6.160   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -8.002   9.240   0.000  0.00  0.00           O+0
CONECT    1   32                                                            
CONECT    2    7    9                                                       
CONECT    3    7   10                                                       
CONECT    4    8   11                                                       
CONECT    5    8   12                                                       
CONECT    6   13   33                                                       
CONECT    7    2    3   19                                                  
CONECT    8    4    5   20                                                  
CONECT    9    2   14   22                                                  
CONECT   10    3   14   23                                                  
CONECT   11    4   15   24                                                  
CONECT   12    5   15   25                                                  
CONECT   13    6   18   34                                                  
CONECT   14    9   10   26                                                  
CONECT   15   11   12   27                                                  
CONECT   16   17   18   28                                                  
CONECT   17   16   21   29                                                  
CONECT   18   13   16   35                                                  
CONECT   19    7   30   33                                                  
CONECT   20    8   31   35                                                  
CONECT   21   17   32   34                                                  
CONECT   22    9                                                            
CONECT   23   10                                                            
CONECT   24   11                                                            
CONECT   25   12                                                            
CONECT   26   14                                                            
CONECT   27   15                                                            
CONECT   28   16                                                            
CONECT   29   17                                                            
CONECT   30   19                                                            
CONECT   31   20                                                            
CONECT   32    1   21                                                       
CONECT   33    6   19                                                       
CONECT   34   13   21                                                       
CONECT   35   18   20                                                       
MASTER        0    0    0    0    0    0    0    0   35    0   74    0
END
Download

3D PDB for HMDB0039180 (Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside)

COMPND    HMDB0039180
HETATM    1  C1  UNL     1       1.849   4.469   0.749  1.00  0.00           C  
HETATM    2  O1  UNL     1       0.885   3.550   0.399  1.00  0.00           O  
HETATM    3  C2  UNL     1       0.666   3.449  -0.953  1.00  0.00           C  
HETATM    4  O2  UNL     1       0.939   2.184  -1.389  1.00  0.00           O  
HETATM    5  C3  UNL     1       0.095   1.189  -0.937  1.00  0.00           C  
HETATM    6  C4  UNL     1       0.312   0.808   0.488  1.00  0.00           C  
HETATM    7  O3  UNL     1       1.594   0.339   0.760  1.00  0.00           O  
HETATM    8  C5  UNL     1       2.078  -0.806   0.151  1.00  0.00           C  
HETATM    9  O4  UNL     1       1.387  -1.475  -0.669  1.00  0.00           O  
HETATM   10  C6  UNL     1       3.431  -1.305   0.429  1.00  0.00           C  
HETATM   11  C7  UNL     1       4.274  -0.666   1.299  1.00  0.00           C  
HETATM   12  C8  UNL     1       5.561  -1.127   1.574  1.00  0.00           C  
HETATM   13  O5  UNL     1       6.392  -0.461   2.458  1.00  0.00           O  
HETATM   14  C9  UNL     1       6.006  -2.264   0.952  1.00  0.00           C  
HETATM   15  O6  UNL     1       7.293  -2.745   1.212  1.00  0.00           O  
HETATM   16  C10 UNL     1       5.176  -2.915   0.079  1.00  0.00           C  
HETATM   17  O7  UNL     1       5.636  -4.057  -0.539  1.00  0.00           O  
HETATM   18  C11 UNL     1       3.886  -2.444  -0.189  1.00  0.00           C  
HETATM   19  C12 UNL     1      -1.368   1.529  -1.147  1.00  0.00           C  
HETATM   20  O8  UNL     1      -2.126   0.526  -0.511  1.00  0.00           O  
HETATM   21  C13 UNL     1      -3.024  -0.300  -1.181  1.00  0.00           C  
HETATM   22  O9  UNL     1      -3.140  -0.115  -2.416  1.00  0.00           O  
HETATM   23  C14 UNL     1      -3.794  -1.331  -0.494  1.00  0.00           C  
HETATM   24  C15 UNL     1      -4.657  -2.102  -1.229  1.00  0.00           C  
HETATM   25  C16 UNL     1      -5.407  -3.089  -0.623  1.00  0.00           C  
HETATM   26  O10 UNL     1      -6.275  -3.868  -1.348  1.00  0.00           O  
HETATM   27  C17 UNL     1      -5.289  -3.305   0.737  1.00  0.00           C  
HETATM   28  O11 UNL     1      -6.036  -4.287   1.335  1.00  0.00           O  
HETATM   29  C18 UNL     1      -4.417  -2.522   1.465  1.00  0.00           C  
HETATM   30  O12 UNL     1      -4.283  -2.723   2.834  1.00  0.00           O  
HETATM   31  C19 UNL     1      -3.675  -1.546   0.866  1.00  0.00           C  
HETATM   32  C20 UNL     1      -1.661   2.900  -0.568  1.00  0.00           C  
HETATM   33  O13 UNL     1      -2.983   3.239  -0.693  1.00  0.00           O  
HETATM   34  C21 UNL     1      -0.753   3.866  -1.342  1.00  0.00           C  
HETATM   35  O14 UNL     1      -1.008   5.176  -1.034  1.00  0.00           O  
HETATM   36  H1  UNL     1       1.928   4.451   1.866  1.00  0.00           H  
HETATM   37  H2  UNL     1       2.830   4.071   0.372  1.00  0.00           H  
HETATM   38  H3  UNL     1       1.626   5.462   0.361  1.00  0.00           H  
HETATM   39  H4  UNL     1       1.333   4.152  -1.490  1.00  0.00           H  
HETATM   40  H5  UNL     1       0.272   0.297  -1.566  1.00  0.00           H  
HETATM   41  H6  UNL     1      -0.045   1.570   1.213  1.00  0.00           H  
HETATM   42  H7  UNL     1      -0.379  -0.069   0.682  1.00  0.00           H  
HETATM   43  H8  UNL     1       3.933   0.228   1.793  1.00  0.00           H  
HETATM   44  H9  UNL     1       7.320  -0.815   2.641  1.00  0.00           H  
HETATM   45  H10 UNL     1       7.606  -3.590   0.742  1.00  0.00           H  
HETATM   46  H11 UNL     1       5.068  -4.581  -1.193  1.00  0.00           H  
HETATM   47  H12 UNL     1       3.284  -3.003  -0.886  1.00  0.00           H  
HETATM   48  H13 UNL     1      -1.558   1.596  -2.238  1.00  0.00           H  
HETATM   49  H14 UNL     1      -4.786  -1.972  -2.297  1.00  0.00           H  
HETATM   50  H15 UNL     1      -6.434  -3.793  -2.332  1.00  0.00           H  
HETATM   51  H16 UNL     1      -5.943  -4.437   2.331  1.00  0.00           H  
HETATM   52  H17 UNL     1      -3.655  -2.168   3.391  1.00  0.00           H  
HETATM   53  H18 UNL     1      -2.980  -0.912   1.404  1.00  0.00           H  
HETATM   54  H19 UNL     1      -1.340   2.971   0.494  1.00  0.00           H  
HETATM   55  H20 UNL     1      -3.229   3.569  -1.586  1.00  0.00           H  
HETATM   56  H21 UNL     1      -0.883   3.637  -2.422  1.00  0.00           H  
HETATM   57  H22 UNL     1      -1.530   5.564  -1.806  1.00  0.00           H  
CONECT    1    2   36   37   38
CONECT    2    3
CONECT    3    4   34   39
CONECT    4    5
CONECT    5    6   19   40
CONECT    6    7   41   42
CONECT    7    8
CONECT    8    9    9   10
CONECT   10   11   11   18
CONECT   11   12   43
CONECT   12   13   14   14
CONECT   13   44
CONECT   14   15   16
CONECT   15   45
CONECT   16   17   18   18
CONECT   17   46
CONECT   18   47
CONECT   19   20   32   48
CONECT   20   21
CONECT   21   22   22   23
CONECT   23   24   24   31
CONECT   24   25   49
CONECT   25   26   27   27
CONECT   26   50
CONECT   27   28   29
CONECT   28   51
CONECT   29   30   31   31
CONECT   30   52
CONECT   31   53
CONECT   32   33   34   54
CONECT   33   55
CONECT   34   35   56
CONECT   35   57
END
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SMILES for HMDB0039180 (Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside)

COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O
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INCHI for HMDB0039180 (Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside)

InChI=1S/C21H22O14/c1-32-21-17(29)16(28)18(35-20(31)8-4-11(24)15(27)12(25)5-8)13(34-21)6-33-19(30)7-2-9(22)14(26)10(23)3-7/h2-5,13,16-18,21-29H,6H2,1H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
Methyl 4,6-di-O-galloyl-b-D-glucopyranosideGenerator
Methyl 4,6-di-O-galloyl-β-D-glucopyranosideGenerator
[4,5-Dihydroxy-6-methoxy-3-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoic acidGenerator
Chemical FormulaC21H22O14
Average Molecular Weight498.391
Monoisotopic Molecular Weight498.100955412
IUPAC Name[4,5-dihydroxy-6-methoxy-3-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Traditional Name[4,5-dihydroxy-6-methoxy-3-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
CAS Registry Number88847-08-9
SMILES
COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O
InChI Identifier
InChI=1S/C21H22O14/c1-32-21-17(29)16(28)18(35-20(31)8-4-11(24)15(27)12(25)5-8)13(34-21)6-33-19(30)7-2-9(22)14(26)10(23)3-7/h2-5,13,16-18,21-29H,6H2,1H3
InChI KeyBTSUIPCMGZHMNV-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as tannins. These are naturally occurring polyphenols which be categorized into four main classes: Hydrolyzable tannin (based on ellagic acid or gallic acid), condensed tannins (made of oligomeric or polymeric proanthocyanidins), complex tannins (made of a catechin bound to a gallotannin or elagitannin), and phlorotannins (oligomers of phloroglucinol).
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassTannins
Sub ClassNot Available
Direct ParentTannins
Alternative Parents
Substituents
  • Tannin
  • Galloyl ester
  • Gallic acid or derivatives
  • P-hydroxybenzoic acid alkyl ester
  • M-hydroxybenzoic acid ester
  • P-hydroxybenzoic acid ester
  • Glycosyl compound
  • O-glycosyl compound
  • Benzoate ester
  • Benzenetriol
  • Benzoic acid or derivatives
  • Pyrogallol derivative
  • Benzoyl
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Monocyclic benzene moiety
  • Dicarboxylic acid or derivatives
  • Benzenoid
  • Monosaccharide
  • Oxane
  • Carboxylic acid ester
  • Secondary alcohol
  • 1,2-diol
  • Organoheterocyclic compound
  • Acetal
  • Carboxylic acid derivative
  • Oxacycle
  • Polyol
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • 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
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 Solubility1.92 g/LALOGPS
logP1.01ALOGPS
logP0.88ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)7.8ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area232.9 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity112.2 m³·mol⁻¹ChemAxon
Polarizability46.61 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]+216.07531661259
DarkChem[M-H]-209.42731661259
DeepCCS[M+H]+208.26830932474
DeepCCS[M-H]-205.87230932474
DeepCCS[M-2H]-238.75530932474
DeepCCS[M+Na]+214.1830932474
AllCCS[M+H]+209.132859911
AllCCS[M+H-H2O]+207.332859911
AllCCS[M+NH4]+210.932859911
AllCCS[M+Na]+211.432859911
AllCCS[M-H]-204.132859911
AllCCS[M+Na-2H]-204.832859911
AllCCS[M+HCOO]-205.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Methyl 4,6-di-O-galloyl-beta-D-glucopyranosideCOC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O6117.1Standard polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranosideCOC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O4271.8Standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranosideCOC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O4477.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,1TMS,isomer #1COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O4505.2Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,1TMS,isomer #2COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O4437.7Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,1TMS,isomer #3COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O)C1O4507.5Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,1TMS,isomer #4COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O)C1O4436.6Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,1TMS,isomer #5COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C)C1O4510.5Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,1TMS,isomer #6COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C4488.0Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TMS,isomer #1COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O4373.4Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TMS,isomer #10COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C4333.4Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TMS,isomer #11COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(O)C1O4376.3Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TMS,isomer #12COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C1O4319.8Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TMS,isomer #13COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O4381.7Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TMS,isomer #14COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O)C1O[Si](C)(C)C4375.2Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TMS,isomer #15COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C1O4333.1Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TMS,isomer #16COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O)C1O[Si](C)(C)C4331.6Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TMS,isomer #17COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C4439.0Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TMS,isomer #2COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O4319.8Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TMS,isomer #3COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O)C1O4316.4Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TMS,isomer #4COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O)C1O4270.8Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TMS,isomer #5COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C)C1O4379.4Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TMS,isomer #6COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C4373.4Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TMS,isomer #7COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O)C1O4274.1Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TMS,isomer #8COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O)C1O4318.8Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TMS,isomer #9COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C)C1O4335.2Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #1COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O4239.0Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #10COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(O)C1O4139.7Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #11COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C1O4090.0Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #12COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O4159.1Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #13COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O)C1O[Si](C)(C)C4169.2Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #14COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C1O4106.1Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #15COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O)C1O[Si](C)(C)C4101.0Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #16COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C4301.5Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #17COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(O)C1O4160.0Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #18COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C1O4132.5Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #19COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O4111.1Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #2COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O)C1O4141.4Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #20COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O)C1O[Si](C)(C)C4106.8Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #21COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C1O4190.4Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #22COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O)C1O[Si](C)(C)C4165.2Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #23COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C4251.8Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #24COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C1O4238.8Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #25COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O4263.6Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #26COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(O)C1O[Si](C)(C)C4270.4Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #27COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O4213.5Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #28COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C1O[Si](C)(C)C4225.4Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #29COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C4304.6Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #3COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O)C1O4156.7Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #30COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C4249.2Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #4COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C)C1O4263.8Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #5COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C4268.6Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #6COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O)C1O4089.8Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #7COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O)C1O4126.5Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #8COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C)C1O4213.2Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TMS,isomer #9COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C4224.6Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #1COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O)C1O4047.6Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #10COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O)C1O[Si](C)(C)C4093.1Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #11COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C4198.8Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #12COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(O)C1O4059.6Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #13COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C1O4038.4Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #14COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O4024.6Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #15COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O)C1O[Si](C)(C)C4033.6Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #16COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C1O4080.0Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #17COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O)C1O[Si](C)(C)C4074.3Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #18COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C4159.5Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #19COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C1O4047.9Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #2COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O)C1O4062.3Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #20COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O4048.7Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #21COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(O)C1O[Si](C)(C)C4056.2Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #22COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O4025.1Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #23COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C1O[Si](C)(C)C4033.8Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #24COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C4102.0Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #25COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C4052.2Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #26COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C1O4066.9Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #27COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O4110.2Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #28COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(O)C1O[Si](C)(C)C4096.4Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #29COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O4085.0Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #3COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C)C1O4149.3Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #30COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C1O[Si](C)(C)C4079.6Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #31COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C4058.1Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #32COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C4094.4Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #33COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O4151.3Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #34COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C1O[Si](C)(C)C4170.7Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #35COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C4200.1Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #36COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C4160.2Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #4COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C4170.8Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #5COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(O)C1O4074.8Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #6COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C1O4060.3Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #7COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O4049.1Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #8COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O)C1O[Si](C)(C)C4057.0Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,4TMS,isomer #9COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C1O4106.5Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #1COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(O)C1O4021.9Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #10COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(O)C1O[Si](C)(C)C4054.5Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #11COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O4031.3Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #12COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C1O[Si](C)(C)C4034.7Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #13COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C4030.5Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #14COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C4052.2Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #15COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C1O3990.5Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #16COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O4031.8Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #17COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(O)C1O[Si](C)(C)C4033.6Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #18COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O4000.2Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #19COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C1O[Si](C)(C)C4007.8Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #2COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C1O3989.8Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #20COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C4015.8Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #21COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C4033.8Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #22COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O3985.7Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #23COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C1O[Si](C)(C)C4018.2Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #24COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C4027.7Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #25COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C4016.5Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #26COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O4021.2Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #27COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C1O[Si](C)(C)C4027.8Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #28COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C4052.1Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #29COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C4036.5Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #3COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O3985.8Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #30COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C4120.1Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #4COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O)C1O[Si](C)(C)C4020.2Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #5COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C1O4018.7Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #6COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O)C1O[Si](C)(C)C4026.2Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #7COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C4120.6Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #8COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C1O4021.1Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,isomer #9COC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O4054.0Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,1TBDMS,isomer #1COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O4751.7Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,1TBDMS,isomer #2COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O4740.0Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,1TBDMS,isomer #3COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C1O4754.1Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,1TBDMS,isomer #4COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C1O4738.4Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,1TBDMS,isomer #5COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C1O4786.6Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,1TBDMS,isomer #6COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C(C)(C)C4763.7Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TBDMS,isomer #1COC1OC(COC(=O)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O4842.5Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TBDMS,isomer #10COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C(C)(C)C4818.3Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TBDMS,isomer #11COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C1O4841.2Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TBDMS,isomer #12COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C1O4794.0Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TBDMS,isomer #13COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C1O4838.2Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TBDMS,isomer #14COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C1O[Si](C)(C)C(C)(C)C4833.6Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TBDMS,isomer #15COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C1O4820.5Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TBDMS,isomer #16COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C1O[Si](C)(C)C(C)(C)C4816.0Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TBDMS,isomer #17COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4910.9Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TBDMS,isomer #2COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O4792.8Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TBDMS,isomer #3COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C1O4792.4Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TBDMS,isomer #4COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C1O4771.9Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TBDMS,isomer #5COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C1O4835.5Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TBDMS,isomer #6COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C(C)(C)C4831.2Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TBDMS,isomer #7COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C1O4775.0Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TBDMS,isomer #8COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C1O4805.6Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,2TBDMS,isomer #9COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C1O4822.7Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #1COC1OC(COC(=O)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O4849.7Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #10COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C1O4864.5Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #11COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C1O4815.6Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #12COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C1O4827.3Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #13COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C1O[Si](C)(C)C(C)(C)C4834.3Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #14COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C1O4847.1Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #15COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C1O[Si](C)(C)C(C)(C)C4839.5Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #16COC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4899.7Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #17COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C1O4931.5Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #18COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C1O4882.4Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #19COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C1O4851.2Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #2COC1OC(COC(=O)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C1O4865.9Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #20COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C1O[Si](C)(C)C(C)(C)C4843.9Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #21COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C1O4926.8Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #22COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C1O[Si](C)(C)C(C)(C)C4920.8Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #23COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4870.7Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #24COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C1O4849.1Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #25COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C1O4888.6Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #26COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C1O[Si](C)(C)C(C)(C)C4894.2Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #27COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C1O4834.6Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #28COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C1O[Si](C)(C)C(C)(C)C4843.2Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #29COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4903.0Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #3COC1OC(COC(=O)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C1O4930.6Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #30COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4869.2Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #4COC1OC(COC(=O)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C1O4888.9Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #5COC1OC(COC(=O)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C(C)(C)C4894.6Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #6COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C1O4814.9Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #7COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C1O4879.2Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #8COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C1O4832.7Semi standard non polar33892256
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,3TBDMS,isomer #9COC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C(C)(C)C4840.8Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside GC-MS (Non-derivatized) - 70eV, Positivesplash10-0udi-2914300000-5e031a343dd8f17bc03d2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside GC-MS (2 TMS) - 70eV, Positivesplash10-0udj-3962214000-3af1545cdf28be42de882017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside GC-MS (TMS_5_11) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside GC-MS ("Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside,5TMS,#11" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside 10V, Positive-QTOFsplash10-0fba-0607900000-dc5e0677712a5cbd553f2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside 20V, Positive-QTOFsplash10-0ufr-0905300000-80c150f00709e9338b4b2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside 40V, Positive-QTOFsplash10-0udi-1901000000-894fccd1c2d805b3b7e22016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside 10V, Negative-QTOFsplash10-014j-0903700000-0ee781e044076de7f0e32016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside 20V, Negative-QTOFsplash10-016r-0901100000-32766eab29dea6d781d52016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside 40V, Negative-QTOFsplash10-014i-2900000000-1c62a16016deebad07572016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside 10V, Positive-QTOFsplash10-000t-0301900000-8a6d5a8f5c33370b7ae62021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside 20V, Positive-QTOFsplash10-0fi4-0417900000-a697c58154c32434bf552021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside 40V, Positive-QTOFsplash10-0h09-4901300000-ae1437c02389cf80be232021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside 10V, Negative-QTOFsplash10-0002-0211900000-74bbba79fdf938ddb3a02021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside 20V, Negative-QTOFsplash10-004i-0932100000-ff5ca84d332a20db502a2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside 40V, Negative-QTOFsplash10-004i-0900100000-09bb79c6f217278d24852021-09-22Wishart 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 IDFDB018708
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound73157785
PDB IDNot Available
ChEBI ID172716
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. Liver carboxylesterase 1
General function:
Lipid transport and metabolism
Specific function:
Involved in the detoxification of xenobiotics and in the activation of ester and amide prodrugs. Hydrolyzes aromatic and aliphatic esters, but has no catalytic activity toward amides or a fatty acyl-CoA ester. Hydrolyzes the methyl ester group of cocaine to form benzoylecgonine. Catalyzes the transesterification of cocaine to form cocaethylene. Displays fatty acid ethyl ester synthase activity, catalyzing the ethyl esterification of oleic acid to ethyloleate.
Gene Name:
CES1
Uniprot ID:
P23141
Molecular weight:
62520.62
Reactions
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside → Methyl 6-O-galloyl-beta-D-glucopyranosidedetails
Methyl 3,4,6-tri-O-galloyl-beta-D-glucopyranoside → Methyl 4,6-di-O-galloyl-beta-D-glucopyranosidedetails