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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 00:44:26 UTC

Update Date

2022-03-07 02:56:10 UTC

HMDB ID

HMDB0039325

Secondary Accession Numbers

HMDB39325

Metabolite Identification

Common Name

Gallic acid 3-O-(6-galloylglucoside)

Description

Gallic acid 3-O-(6-galloylglucoside) belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Gallic acid 3-O-(6-galloylglucoside) has been detected, but not quantified in, several different foods, such as herbs and spices, green tea, herbal tea, green vegetables, and red tea. This could make gallic acid 3-O-(6-galloylglucoside) a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Gallic acid 3-O-(6-galloylglucoside).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv0541 05061311012D          

 34 36  0  0  0  0            999 V2000
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    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
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   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
    2.1434    1.2375    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
    4.2868    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
 10  1  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 13  1  0  0  0  0
 25 14  1  0  0  0  0
 26 15  1  0  0  0  0
 27 16  1  0  0  0  0
 28 17  1  0  0  0  0
 29 18  2  0  0  0  0
 30 18  1  0  0  0  0
 31 19  2  0  0  0  0
 32  5  1  0  0  0  0
 32 19  1  0  0  0  0
 33 11  1  0  0  0  0
 33 20  1  0  0  0  0
 34 12  1  0  0  0  0
 34 20  1  0  0  0  0
M  END

HMDB0039325
     RDKit          3D
Gallic acid 3-O-(6-galloylglucoside)
 54 56  0  0  0  0  0  0  0  0999 V2000
    6.7667    3.1270   -0.8274 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625    2.6790   -0.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7984    3.5077    0.2330 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3599    1.2763   -0.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2438    0.4683   -1.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8878   -0.8418   -1.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8153   -1.6368   -2.2730 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6953   -1.3511   -1.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3668   -2.6753   -1.4035 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7551   -0.5528   -0.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712   -1.1250   -0.0762 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5723   -0.4489    0.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3983   -0.4439   -0.1660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0359   -1.7296   -0.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706   -1.7529   -1.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2169   -1.0410   -1.2111 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4200    0.2794   -0.9894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4366    1.0539   -1.0420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7154    0.8779   -0.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8392    0.0884   -0.6165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1130    0.6085   -0.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2027   -0.2414   -0.2726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2538    1.9581   -0.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4863    2.5109    0.1684 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1257    2.7698   -0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2981    4.1251    0.0373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8788    2.2276   -0.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5541   -2.3345    0.8771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9424   -2.5382    0.8227 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1916   -1.4077    2.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8576   -0.1916    1.8199 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2799   -1.1189    1.9536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6664   -0.2752    3.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1471    0.7442   -0.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3560    4.3240   -0.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2001    0.8661   -1.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6355   -2.6146   -2.4779 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4935   -3.0826   -1.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8242    0.5932    0.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8829   -2.2944   -0.7512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5649   -1.4326   -2.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -2.8393   -1.5887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7371   -0.9826   -0.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1482    0.0293   -0.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3449    1.9953    0.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1950    4.5213    0.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0006    2.8533   -0.5249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0259   -3.2889    1.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1140   -3.4412    1.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4175   -1.8546    2.9975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2161    0.1318    2.7023 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8640   -2.0493    2.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0895    0.5481    2.9206 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4581    1.4221    0.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  2  0
 14 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 10 34  2  0
 34  4  1  0
 32 12  1  0
 27 19  1  0
  3 35  1  0
  5 36  1  0
  7 37  1  0
  9 38  1  0
 12 39  1  0
 14 40  1  0
 15 41  1  0
 15 42  1  0
 20 43  1  0
 22 44  1  0
 24 45  1  0
 26 46  1  0
 27 47  1  0
 28 48  1  0
 29 49  1  0
 30 50  1  0
 31 51  1  0
 32 52  1  0
 33 53  1  0
 34 54  1  0
M  END


  Mrv0541 05061311012D          

 34 36  0  0  0  0            999 V2000
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    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
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   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
    2.1434    1.2375    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
    4.2868    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
 10  1  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 13  1  0  0  0  0
 25 14  1  0  0  0  0
 26 15  1  0  0  0  0
 27 16  1  0  0  0  0
 28 17  1  0  0  0  0
 29 18  2  0  0  0  0
 30 18  1  0  0  0  0
 31 19  2  0  0  0  0
 32  5  1  0  0  0  0
 32 19  1  0  0  0  0
 33 11  1  0  0  0  0
 33 20  1  0  0  0  0
 34 12  1  0  0  0  0
 34 20  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039325

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(=CC(O)=C2O)C(O)=O)C1O

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

> <INCHI_KEY>
NRQUZRZEYPSZEY-UHFFFAOYSA-N

> <FORMULA>
C20H20O14

> <MOLECULAR_WEIGHT>
484.3644

> <EXACT_MASS>
484.085305348

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
43.60216422877079

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl}oxy)benzoic acid

> <ALOGPS_LOGP>
0.51

> <JCHEM_LOGP>
0.036668549333333515

> <ALOGPS_LOGS>
-2.38

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.09126579122122

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.927801336466638

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6789670316100747

> <JCHEM_POLAR_SURFACE_AREA>
243.89999999999995

> <JCHEM_REFRACTIVITY>
107.16599999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.00e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl}oxy)benzoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0039325
     RDKit          3D
Gallic acid 3-O-(6-galloylglucoside)
 54 56  0  0  0  0  0  0  0  0999 V2000
    6.7667    3.1270   -0.8274 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625    2.6790   -0.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7984    3.5077    0.2330 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3599    1.2763   -0.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2438    0.4683   -1.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8878   -0.8418   -1.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8153   -1.6368   -2.2730 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6953   -1.3511   -1.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3668   -2.6753   -1.4035 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7551   -0.5528   -0.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712   -1.1250   -0.0762 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5723   -0.4489    0.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3983   -0.4439   -0.1660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0359   -1.7296   -0.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706   -1.7529   -1.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2169   -1.0410   -1.2111 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4200    0.2794   -0.9894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4366    1.0539   -1.0420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7154    0.8779   -0.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8392    0.0884   -0.6165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1130    0.6085   -0.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2027   -0.2414   -0.2726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2538    1.9581   -0.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4863    2.5109    0.1684 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1257    2.7698   -0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2981    4.1251    0.0373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8788    2.2276   -0.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5541   -2.3345    0.8771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9424   -2.5382    0.8227 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1916   -1.4077    2.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8576   -0.1916    1.8199 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2799   -1.1189    1.9536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6664   -0.2752    3.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1471    0.7442   -0.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3560    4.3240   -0.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2001    0.8661   -1.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6355   -2.6146   -2.4779 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4935   -3.0826   -1.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8242    0.5932    0.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8829   -2.2944   -0.7512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5649   -1.4326   -2.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -2.8393   -1.5887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7371   -0.9826   -0.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1482    0.0293   -0.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3449    1.9953    0.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1950    4.5213    0.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0006    2.8533   -0.5249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0259   -3.2889    1.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1140   -3.4412    1.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4175   -1.8546    2.9975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2161    0.1318    2.7023 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8640   -2.0493    2.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0895    0.5481    2.9206 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4581    1.4221    0.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  2  0
 14 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 10 34  2  0
 34  4  1  0
 32 12  1  0
 27 19  1  0
  3 35  1  0
  5 36  1  0
  7 37  1  0
  9 38  1  0
 12 39  1  0
 14 40  1  0
 15 41  1  0
 15 42  1  0
 20 43  1  0
 22 44  1  0
 24 45  1  0
 26 46  1  0
 27 47  1  0
 28 48  1  0
 29 49  1  0
 30 50  1  0
 31 51  1  0
 32 52  1  0
 33 53  1  0
 34 54  1  0
M  END

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   6.160   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667   1.540   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      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       0.000  -7.700   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -5.335  -7.700   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       4.001   8.470   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -2.667  -9.240   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       1.334   6.930   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       6.668   2.310   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       8.002   4.620   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
CONECT    1    6   10                                                       
CONECT    2    7    8                                                       
CONECT    3    7    9                                                       
CONECT    4    6   11                                                       
CONECT    5   12   32                                                       
CONECT    6    1    4   18                                                  
CONECT    7    2    3   19                                                  
CONECT    8    2   13   21                                                  
CONECT    9    3   13   22                                                  
CONECT   10    1   14   23                                                  
CONECT   11    4   14   33                                                  
CONECT   12    5   15   34                                                  
CONECT   13    8    9   24                                                  
CONECT   14   10   11   25                                                  
CONECT   15   12   16   26                                                  
CONECT   16   15   17   27                                                  
CONECT   17   16   20   28                                                  
CONECT   18    6   29   30                                                  
CONECT   19    7   31   32                                                  
CONECT   20   17   33   34                                                  
CONECT   21    8                                                            
CONECT   22    9                                                            
CONECT   23   10                                                            
CONECT   24   13                                                            
CONECT   25   14                                                            
CONECT   26   15                                                            
CONECT   27   16                                                            
CONECT   28   17                                                            
CONECT   29   18                                                            
CONECT   30   18                                                            
CONECT   31   19                                                            
CONECT   32    5   19                                                       
CONECT   33   11   20                                                       
CONECT   34   12   20                                                       
MASTER        0    0    0    0    0    0    0    0   34    0   72    0
END

COMPND    HMDB0039325
HETATM    1  O1  UNL     1       6.767   3.127  -0.827  1.00  0.00           O  
HETATM    2  C1  UNL     1       5.663   2.679  -0.430  1.00  0.00           C  
HETATM    3  O2  UNL     1       4.798   3.508   0.233  1.00  0.00           O  
HETATM    4  C2  UNL     1       5.360   1.276  -0.703  1.00  0.00           C  
HETATM    5  C3  UNL     1       6.244   0.468  -1.370  1.00  0.00           C  
HETATM    6  C4  UNL     1       5.888  -0.842  -1.589  1.00  0.00           C  
HETATM    7  O3  UNL     1       6.815  -1.637  -2.273  1.00  0.00           O  
HETATM    8  C5  UNL     1       4.695  -1.351  -1.167  1.00  0.00           C  
HETATM    9  O4  UNL     1       4.367  -2.675  -1.403  1.00  0.00           O  
HETATM   10  C6  UNL     1       3.755  -0.553  -0.476  1.00  0.00           C  
HETATM   11  O5  UNL     1       2.571  -1.125  -0.076  1.00  0.00           O  
HETATM   12  C7  UNL     1       1.572  -0.449   0.605  1.00  0.00           C  
HETATM   13  O6  UNL     1       0.398  -0.444  -0.166  1.00  0.00           O  
HETATM   14  C8  UNL     1      -0.036  -1.730  -0.416  1.00  0.00           C  
HETATM   15  C9  UNL     1      -1.071  -1.753  -1.496  1.00  0.00           C  
HETATM   16  O7  UNL     1      -2.217  -1.041  -1.211  1.00  0.00           O  
HETATM   17  C10 UNL     1      -2.420   0.279  -0.989  1.00  0.00           C  
HETATM   18  O8  UNL     1      -1.437   1.054  -1.042  1.00  0.00           O  
HETATM   19  C11 UNL     1      -3.715   0.878  -0.690  1.00  0.00           C  
HETATM   20  C12 UNL     1      -4.839   0.088  -0.617  1.00  0.00           C  
HETATM   21  C13 UNL     1      -6.113   0.608  -0.331  1.00  0.00           C  
HETATM   22  O9  UNL     1      -7.203  -0.241  -0.273  1.00  0.00           O  
HETATM   23  C14 UNL     1      -6.254   1.958  -0.115  1.00  0.00           C  
HETATM   24  O10 UNL     1      -7.486   2.511   0.168  1.00  0.00           O  
HETATM   25  C15 UNL     1      -5.126   2.770  -0.185  1.00  0.00           C  
HETATM   26  O11 UNL     1      -5.298   4.125   0.037  1.00  0.00           O  
HETATM   27  C16 UNL     1      -3.879   2.228  -0.469  1.00  0.00           C  
HETATM   28  C17 UNL     1      -0.554  -2.335   0.877  1.00  0.00           C  
HETATM   29  O12 UNL     1      -1.942  -2.538   0.823  1.00  0.00           O  
HETATM   30  C18 UNL     1      -0.192  -1.408   2.011  1.00  0.00           C  
HETATM   31  O13 UNL     1      -0.858  -0.192   1.820  1.00  0.00           O  
HETATM   32  C19 UNL     1       1.280  -1.119   1.954  1.00  0.00           C  
HETATM   33  O14 UNL     1       1.666  -0.275   3.001  1.00  0.00           O  
HETATM   34  C20 UNL     1       4.147   0.744  -0.278  1.00  0.00           C  
HETATM   35  H1  UNL     1       4.356   4.324  -0.126  1.00  0.00           H  
HETATM   36  H2  UNL     1       7.200   0.866  -1.712  1.00  0.00           H  
HETATM   37  H3  UNL     1       6.636  -2.615  -2.478  1.00  0.00           H  
HETATM   38  H4  UNL     1       3.494  -3.083  -1.105  1.00  0.00           H  
HETATM   39  H5  UNL     1       1.824   0.593   0.784  1.00  0.00           H  
HETATM   40  H6  UNL     1       0.883  -2.294  -0.751  1.00  0.00           H  
HETATM   41  H7  UNL     1      -0.565  -1.433  -2.440  1.00  0.00           H  
HETATM   42  H8  UNL     1      -1.387  -2.839  -1.589  1.00  0.00           H  
HETATM   43  H9  UNL     1      -4.737  -0.983  -0.787  1.00  0.00           H  
HETATM   44  H10 UNL     1      -8.148   0.029  -0.077  1.00  0.00           H  
HETATM   45  H11 UNL     1      -8.345   1.995   0.237  1.00  0.00           H  
HETATM   46  H12 UNL     1      -6.195   4.521   0.242  1.00  0.00           H  
HETATM   47  H13 UNL     1      -3.001   2.853  -0.525  1.00  0.00           H  
HETATM   48  H14 UNL     1      -0.026  -3.289   1.059  1.00  0.00           H  
HETATM   49  H15 UNL     1      -2.114  -3.441   1.179  1.00  0.00           H  
HETATM   50  H16 UNL     1      -0.418  -1.855   2.997  1.00  0.00           H  
HETATM   51  H17 UNL     1      -1.216   0.132   2.702  1.00  0.00           H  
HETATM   52  H18 UNL     1       1.864  -2.049   2.024  1.00  0.00           H  
HETATM   53  H19 UNL     1       1.089   0.548   2.921  1.00  0.00           H  
HETATM   54  H20 UNL     1       3.458   1.422   0.256  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   35
CONECT    4    5    5   34
CONECT    5    6   36
CONECT    6    7    8    8
CONECT    7   37
CONECT    8    9   10
CONECT    9   38
CONECT   10   11   34   34
CONECT   11   12
CONECT   12   13   32   39
CONECT   13   14
CONECT   14   15   28   40
CONECT   15   16   41   42
CONECT   16   17
CONECT   17   18   18   19
CONECT   19   20   20   27
CONECT   20   21   43
CONECT   21   22   23   23
CONECT   22   44
CONECT   23   24   25
CONECT   24   45
CONECT   25   26   27   27
CONECT   26   46
CONECT   27   47
CONECT   28   29   30   48
CONECT   29   49
CONECT   30   31   32   50
CONECT   31   51
CONECT   32   33   52
CONECT   33   53
CONECT   34   54
END

HMDB0039325
     RDKit          3D
Gallic acid 3-O-(6-galloylglucoside)
 54 56  0  0  0  0  0  0  0  0999 V2000
    6.7667    3.1270   -0.8274 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625    2.6790   -0.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7984    3.5077    0.2330 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3599    1.2763   -0.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2438    0.4683   -1.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8878   -0.8418   -1.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8153   -1.6368   -2.2730 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6953   -1.3511   -1.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3668   -2.6753   -1.4035 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7551   -0.5528   -0.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712   -1.1250   -0.0762 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5723   -0.4489    0.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3983   -0.4439   -0.1660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0359   -1.7296   -0.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706   -1.7529   -1.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2169   -1.0410   -1.2111 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4200    0.2794   -0.9894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4366    1.0539   -1.0420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7154    0.8779   -0.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8392    0.0884   -0.6165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1130    0.6085   -0.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2027   -0.2414   -0.2726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2538    1.9581   -0.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4863    2.5109    0.1684 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1257    2.7698   -0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2981    4.1251    0.0373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8788    2.2276   -0.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5541   -2.3345    0.8771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9424   -2.5382    0.8227 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1916   -1.4077    2.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8576   -0.1916    1.8199 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2799   -1.1189    1.9536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6664   -0.2752    3.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1471    0.7442   -0.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3560    4.3240   -0.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2001    0.8661   -1.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6355   -2.6146   -2.4779 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4935   -3.0826   -1.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8242    0.5932    0.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8829   -2.2944   -0.7512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5649   -1.4326   -2.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -2.8393   -1.5887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7371   -0.9826   -0.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1482    0.0293   -0.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3449    1.9953    0.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1950    4.5213    0.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0006    2.8533   -0.5249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0259   -3.2889    1.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1140   -3.4412    1.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4175   -1.8546    2.9975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2161    0.1318    2.7023 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8640   -2.0493    2.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0895    0.5481    2.9206 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4581    1.4221    0.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  2  0
 14 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 10 34  2  0
 34  4  1  0
 32 12  1  0
 27 19  1  0
  3 35  1  0
  5 36  1  0
  7 37  1  0
  9 38  1  0
 12 39  1  0
 14 40  1  0
 15 41  1  0
 15 42  1  0
 20 43  1  0
 22 44  1  0
 24 45  1  0
 26 46  1  0
 27 47  1  0
 28 48  1  0
 29 49  1  0
 30 50  1  0
 31 51  1  0
 32 52  1  0
 33 53  1  0
 34 54  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Gallate 3-O-(6-galloylglucoside)	Generator
3,4-Dihydroxy-5-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl}oxy)benzoate	HMDB

Chemical Formula

C₂₀H₂₀O₁₄

Average Molecular Weight

484.3644

Monoisotopic Molecular Weight

484.085305348

IUPAC Name

3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl}oxy)benzoic acid

Traditional Name

3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl}oxy)benzoic acid

CAS Registry Number

87087-61-4

SMILES

OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(=CC(O)=C2O)C(O)=O)C1O

InChI Identifier

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

InChI Key

NRQUZRZEYPSZEY-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Tannins

Sub Class

Hydrolyzable tannins

Direct Parent

Hydrolyzable tannins

Alternative Parents

Substituents

Hydrolyzable tannin
Phenolic glycoside
Galloyl ester
Gallic acid or derivatives
Dihydroxybenzoic acid
P-hydroxybenzoic acid alkyl ester
M-hydroxybenzoic acid ester
P-hydroxybenzoic acid ester
O-glycosyl compound
Glycosyl compound
Hydroxybenzoic acid
Benzoate ester
Benzenetriol
Benzoic acid or derivatives
Benzoic acid
Pyrogallol derivative
Phenoxy compound
Catechol
Phenol ether
Benzoyl
1-hydroxy-2-unsubstituted benzenoid
Phenol
1-hydroxy-4-unsubstituted benzenoid
Sugar acid
Monocyclic benzene moiety
Dicarboxylic acid or derivatives
Monosaccharide
Oxane
Benzenoid
Carboxylic acid ester
Secondary alcohol
Acetal
Oxacycle
Organoheterocyclic compound
Polyol
Carboxylic acid derivative
Carboxylic acid
Alcohol
Organic oxygen compound
Organic oxide
Organooxygen compound
Hydrocarbon derivative
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0039325)
Cytoplasm (HMDB: HMDB0039325)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0039325)

Source

Exogenous

Food

Food (HMDB: HMDB0039325)

Tea

Herb and spice

Herbs and Spices (FooDB: FOOD00866)

Vegetable

Leaf vegetable

Green vegetables (FooDB: FOOD00872)

Endogenous

Plant

Plant (HMDB: HMDB0039325)

Not Available

Nutrient (HMDB: HMDB0039325)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	261 - 263 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	2 g/L	ALOGPS
logP	0.51	ALOGPS
logP	0.037	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	3.93	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	243.9 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	107.17 m³·mol⁻¹	ChemAxon
Polarizability	43.6 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	210.295	31661259
DarkChem	[M-H]-	201.364	31661259
DeepCCS	[M+H]+	205.947	30932474
DeepCCS	[M-H]-	203.551	30932474
DeepCCS	[M-2H]-	236.435	30932474
DeepCCS	[M+Na]+	211.859	30932474
AllCCS	[M+H]+	204.9	32859911
AllCCS	[M+H-H2O]+	202.9	32859911
AllCCS	[M+NH4]+	206.6	32859911
AllCCS	[M+Na]+	207.2	32859911
AllCCS	[M-H]-	199.3	32859911
AllCCS	[M+Na-2H]-	199.8	32859911
AllCCS	[M+HCOO]-	200.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Gallic acid 3-O-(6-galloylglucoside)	OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(=CC(O)=C2O)C(O)=O)C1O	6313.5	Standard polar	33892256
Gallic acid 3-O-(6-galloylglucoside)	OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(=CC(O)=C2O)C(O)=O)C1O	4353.0	Standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside)	OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(=CC(O)=C2O)C(O)=O)C1O	4487.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Gallic acid 3-O-(6-galloylglucoside),1TMS,isomer #1	C[Si](C)(C)OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(C(=O)O)=CC(O)=C2O)C1O	4603.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),1TMS,isomer #2	C[Si](C)(C)OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O)C1O	4593.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),1TMS,isomer #3	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O)C2O)=CC(O)=C1O	4594.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),1TMS,isomer #4	C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O)C2O)C=C1O	4555.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),1TMS,isomer #5	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1O	4620.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),1TMS,isomer #6	C[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O	4542.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),1TMS,isomer #7	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1	4579.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),1TMS,isomer #8	C[Si](C)(C)OC1C(OC2=CC(C(=O)O)=CC(O)=C2O)OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O	4601.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #1	C[Si](C)(C)OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O)C1O[Si](C)(C)C	4504.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #10	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1	4471.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #11	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O	4516.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #12	C[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	4440.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #13	C[Si](C)(C)OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O[Si](C)(C)C)C1O	4536.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #14	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1	4445.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #15	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O)C(O)C(O)C2O)=CC(O)=C1O	4503.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #16	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O)C(O)C2O)=CC(O)=C1O	4404.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #17	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O[Si](C)(C)C)C(O)C2O)=CC(O)=C1O	4487.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #18	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O)C2O)=CC(O[Si](C)(C)C)=C1O	4485.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #19	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O)C2O)=CC(O)=C1O[Si](C)(C)C	4391.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #2	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O[Si](C)(C)C)C2O)=CC(O)=C1O	4455.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #20	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)=C1	4386.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #21	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)=C1O	4439.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #22	C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O)C(O)C2O)C=C1O	4339.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #23	C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O[Si](C)(C)C)C(O)C2O)C=C1O	4428.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #24	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C(O)C(O[Si](C)(C)C)=C1	4491.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #25	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O	4538.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #26	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C	4448.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #27	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1	4399.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #28	C[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	4461.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #29	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1	4497.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #3	C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O[Si](C)(C)C)C2O)C=C1O	4389.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #4	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1	4466.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #5	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O	4517.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #6	C[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	4435.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #7	C[Si](C)(C)OC1C(OC2=CC(C(=O)O)=CC(O)=C2O)OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C	4512.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #8	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O)C2O[Si](C)(C)C)=CC(O)=C1O	4463.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TMS,isomer #9	C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O)C2O[Si](C)(C)C)C=C1O	4406.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #1	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O	4328.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #10	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(O)=C1O	4349.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #11	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O	4278.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #12	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C	4221.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #13	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1	4170.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #14	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O	4224.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #15	C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C=C1O	4162.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #16	C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O	4297.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #17	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)=C(O)C(O[Si](C)(C)C)=C1	4311.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #18	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1	4255.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #19	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	4371.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #2	C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	4283.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #20	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4422.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #21	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	4348.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #22	C[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4359.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #23	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1	4277.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #24	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O)C(O)C(O)C2O[Si](C)(C)C)=CC(O)=C1O	4320.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #25	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC(O)=C1O	4269.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #26	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(O)=C1O	4375.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #27	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	4311.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #28	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	4262.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #29	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1	4224.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #3	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1	4357.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #30	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O	4271.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #31	C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C=C1O	4211.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #32	C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O	4329.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #33	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)=C(O)C(O[Si](C)(C)C)=C1	4333.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #34	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1	4280.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #35	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1	4407.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #36	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O	4448.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #37	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O[Si](C)(C)C	4361.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #38	C[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4391.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #39	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C(O)C(O[Si](C)(C)C)=C1	4261.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #4	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O	4404.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #40	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1	4192.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #41	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1	4264.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #42	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1	4197.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #43	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1	4297.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #44	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O)C(O)C2O)=CC(O)=C1O	4291.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #45	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O)C(O[Si](C)(C)C)C(O)C2O)=CC(O)=C1O	4342.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #46	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O	4306.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #47	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O	4237.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #48	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC(O)=C1O	4285.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #49	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O)C(O)C2O)=CC(O[Si](C)(C)C)=C1O	4233.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #5	C[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4348.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #50	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O)C(O)C2O)=CC(O)=C1O[Si](C)(C)C	4166.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #51	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O[Si](C)(C)C)C(O)C2O)=CC(O[Si](C)(C)C)=C1O	4331.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #52	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O[Si](C)(C)C)C(O)C2O)=CC(O)=C1O[Si](C)(C)C	4278.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #53	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	4265.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #54	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)=C(O)C(O[Si](C)(C)C)=C1	4201.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #55	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)=C1	4131.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #56	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1	4244.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #57	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O	4289.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #58	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C	4231.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #59	C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C=C1O	4231.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #6	C[Si](C)(C)OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4481.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #60	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	4359.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #61	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4280.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #62	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4381.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #63	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1	4301.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #7	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1	4241.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #8	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O)C(O)C(O[Si](C)(C)C)C2O)=CC(O)=C1O	4287.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TMS,isomer #9	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC(O)=C1O	4226.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1	4181.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #10	C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	4262.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #11	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C(O)C(O[Si](C)(C)C)=C1	4270.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #12	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1	4227.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #13	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	4356.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #14	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4395.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #15	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	4323.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #16	C[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4355.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #17	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C(O)C(O[Si](C)(C)C)=C1	4090.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #18	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1	4047.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #19	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1	4093.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #2	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O	4215.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #20	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1	4061.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #21	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	4200.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #22	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC(O)=C1O	4169.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #23	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(O)=C1O	4232.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #24	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O	4137.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #25	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O	4097.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #26	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(O)=C1O	4200.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #27	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O	4087.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #28	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C	4046.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #29	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O	4232.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #3	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O	4179.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #30	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C	4201.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #31	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	4157.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #32	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)=C(O)C(O[Si](C)(C)C)=C1	4107.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #33	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1	4061.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #34	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	4141.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #35	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4179.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #36	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	4105.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #37	C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O	4143.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #38	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	4288.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #39	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4202.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #4	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O	4325.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #40	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	4248.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #41	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4333.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #42	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C(O)C(O[Si](C)(C)C)=C1	4145.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #43	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1	4103.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #44	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1	4147.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #45	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1	4111.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #46	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1	4230.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #47	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC(O)=C1O	4217.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #48	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(O)=C1O	4258.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #49	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O	4186.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #5	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	4211.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #50	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O	4143.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #51	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(O)=C1O	4227.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #52	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	4139.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #53	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	4098.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #54	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	4254.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #55	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	4225.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #56	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	4200.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #57	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)=C(O)C(O[Si](C)(C)C)=C1	4109.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #58	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1	4068.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #59	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1	4175.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #6	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	4179.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #60	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O	4204.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #61	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O[Si](C)(C)C	4155.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #62	C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O	4169.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #63	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	4313.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #64	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4243.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #65	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1	4280.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #66	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4357.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #67	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C(O)C(O[Si](C)(C)C)=C1	4104.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #68	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C(O)C(O[Si](C)(C)C)=C1	4058.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #69	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	4166.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #7	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1	4124.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #70	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4117.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #71	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1	4057.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #72	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1	4010.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #73	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1	4127.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #74	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1	4113.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #75	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1	4169.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #76	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1	4135.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #77	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC(O)=C1O	4240.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #78	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O)C(O)C2O)=CC(O[Si](C)(C)C)=C1O	4158.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #79	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O)C(O)C2O)=CC(O)=C1O[Si](C)(C)C	4116.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #8	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O	4168.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #80	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O	4210.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #81	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O	4166.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #82	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O	4141.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #83	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC(O[Si](C)(C)C)=C1O	4167.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #84	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC(O)=C1O[Si](C)(C)C	4126.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #85	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O)C(O)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	4097.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #86	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O[Si](C)(C)C)C(O)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	4221.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #87	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	4112.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #88	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4058.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #89	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1	4074.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #9	C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	4124.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #90	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4180.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),4TMS,isomer #91	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4260.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C(O)C(O[Si](C)(C)C)=C1	4070.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #10	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O	4207.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #11	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	4088.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #12	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	4064.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #13	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	4233.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #14	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	4207.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #15	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	4164.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #16	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C(O)C(O[Si](C)(C)C)=C1	4071.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #17	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1	4044.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #18	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	4123.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #19	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4163.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #2	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1	4041.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #20	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	4107.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #21	C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	4133.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #22	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	4264.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #23	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4180.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #24	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	4229.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #25	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4355.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #26	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C(O)C(O[Si](C)(C)C)=C1	4047.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #27	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C(O)C(O[Si](C)(C)C)=C1	4027.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #28	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	4086.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #29	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4014.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #3	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1	4074.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #30	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1	4007.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #31	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1	3983.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #32	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	4057.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #33	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1	4020.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #34	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	4091.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #35	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	4070.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #36	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(O)=C1O	4181.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #37	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O	4072.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #38	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C	4045.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #39	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4137.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #4	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1	4054.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #40	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4111.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #41	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O	4067.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #42	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O	4102.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #43	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C	4079.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #44	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	4027.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #45	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	4178.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #46	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	4080.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #47	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4012.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #48	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	4051.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #49	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4118.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #5	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	4186.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #50	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4193.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #51	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C(O)C(O[Si](C)(C)C)=C1	4063.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #52	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C(O)C(O[Si](C)(C)C)=C1	4038.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #53	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	4109.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #54	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4060.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #55	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1	4022.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #56	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1	3992.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #57	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1	4084.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #58	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(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)C(O)C2O)=C1	4058.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #59	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1	4112.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #6	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O	4167.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #60	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1	4093.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #61	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(O)=C1O	4205.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #62	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	4117.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #63	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	4083.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #64	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O	4155.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #65	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O	4127.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #66	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(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)C(O)C2O)=C1O	4107.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #67	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	4119.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #68	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	4095.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #69	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	4067.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #7	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O	4231.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #70	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	4198.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #71	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	4100.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #72	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4031.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #73	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1	4074.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #74	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4141.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #75	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4228.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #76	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C(O)C(O[Si](C)(C)C)=C1	4019.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #77	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	4069.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #78	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4014.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #79	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	4044.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #8	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O	4128.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #80	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3984.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #81	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4085.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #82	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1	3976.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #83	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1	4030.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #84	C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1	3998.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #85	C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1	4082.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #86	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC(O[Si](C)(C)C)=C1O	4137.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #87	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC(O)=C1O[Si](C)(C)C	4102.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #88	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C	4085.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #89	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O	4128.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #9	C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O	4100.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #90	C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	4088.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),5TMS,isomer #91	C[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4037.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(C(=O)O)=CC(O)=C2O)C1O	4880.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O)C1O	4876.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O)C2O)=CC(O)=C1O	4871.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O)C2O)C=C1O	4865.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1O	4874.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O	4802.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1	4860.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(C(=O)O)=CC(O)=C2O)OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O	4898.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O)C1O[Si](C)(C)C(C)(C)C	4991.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1	4928.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1O	4967.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4891.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O[Si](C)(C)C(C)(C)C)C1O	5044.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)=C1	4876.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C3O)C(O)C(O)C2O)=CC(O)=C1O	4911.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC(O)=C1O	4853.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC(O)=C1O	4929.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O	4904.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C	4843.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(O)=C1O	4906.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2O)=C1	4868.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2O)=C1O	4907.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C=C1O	4850.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1O	4905.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4935.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O	4993.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C(C)(C)C	4888.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1	4872.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4915.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1	4953.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O	4894.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1	4922.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O	4967.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4895.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(C(=O)O)=CC(O)=C2O)OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C(C)(C)C	5009.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O	4906.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O	4889.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O	4944.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(O)=C1O	4970.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O	4919.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C	4870.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1	4927.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O	4965.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O	4922.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O	4939.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4954.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1	4911.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C1	4986.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C1O	4923.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C1O	5027.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O[Si](C)(C)C(C)(C)C	4948.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4991.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=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)C(O)C2O)=C1	4900.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O	4933.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O	4896.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O	5004.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1O	4934.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O[Si](C)(C)C(C)(C)C	4882.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(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)C(O)C2O)=C1	4905.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C1	4968.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(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)C(O)C2O)=C1O	4944.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O	4903.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O	4969.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4963.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1	4920.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C1	5017.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O	5052.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1O[Si](C)(C)C(C)(C)C	4950.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	5014.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4926.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O	5004.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)=C1	4879.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(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)C(O)C2O)=C1	4928.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(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)C(O)C2O)=C1	4882.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1	4929.5	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC(O)=C1O	4918.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC(O)=C1O	4962.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(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)C(O)C2O)=C1O	4957.3	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(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)C(O)C2O)=C1O	4909.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC(O)=C1O	4928.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O	4914.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(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)C1O	4968.7	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C	4859.4	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O	4964.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C	4908.6	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O)C(O)C(O)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	4887.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4962.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2O)=C1	4920.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1	4909.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #57	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O	4949.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #58	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C(C)(C)C	4914.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #59	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1O	4909.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	5116.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #60	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4991.1	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #61	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4928.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #62	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	4986.2	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #63	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1	4950.9	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1	4895.8	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(O)=C1O	4918.0	Semi standard non polar	33892256
Gallic acid 3-O-(6-galloylglucoside),3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(O)=C1O	4878.7	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Gallic acid 3-O-(6-galloylglucoside) GC-MS (Non-derivatized) - 70eV, Positive	splash10-0uxr-3794300000-f53fa85767271eff05ff	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gallic acid 3-O-(6-galloylglucoside) GC-MS (2 TMS) - 70eV, Positive	splash10-0ik9-4913306000-6a8a64e42059787ecf8f	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gallic acid 3-O-(6-galloylglucoside) GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gallic acid 3-O-(6-galloylglucoside) 10V, Positive-QTOF	splash10-0fri-0813900000-68162f666c91cf1ef600	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gallic acid 3-O-(6-galloylglucoside) 20V, Positive-QTOF	splash10-0v4i-0911200000-6fee7016e2ba55bd4801	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gallic acid 3-O-(6-galloylglucoside) 40V, Positive-QTOF	splash10-0umi-0900000000-57a593ab7e343b92a6e2	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gallic acid 3-O-(6-galloylglucoside) 10V, Negative-QTOF	splash10-0159-0921600000-54503c402b0586e83b61	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gallic acid 3-O-(6-galloylglucoside) 20V, Negative-QTOF	splash10-014i-0900100000-553340e1cea31741e79c	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gallic acid 3-O-(6-galloylglucoside) 40V, Negative-QTOF	splash10-014i-0900000000-33656d087e386d5db7f1	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gallic acid 3-O-(6-galloylglucoside) 10V, Negative-QTOF	splash10-001i-0500900000-448adac34fc6b16ed37e	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gallic acid 3-O-(6-galloylglucoside) 20V, Negative-QTOF	splash10-014i-0910100000-2d12a5c89eba798cc438	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gallic acid 3-O-(6-galloylglucoside) 40V, Negative-QTOF	splash10-00mk-3901000000-8865e3c04373d34afaa5	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gallic acid 3-O-(6-galloylglucoside) 10V, Positive-QTOF	splash10-0fri-0801900000-6627c6adb13196222e77	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gallic acid 3-O-(6-galloylglucoside) 20V, Positive-QTOF	splash10-0uy0-0923300000-92e7d33841ef95f333f5	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gallic acid 3-O-(6-galloylglucoside) 40V, Positive-QTOF	splash10-0udi-0900100000-94f94d327e2a89fdac30	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB018878

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

73157749

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Gallic acid 3-O-(6-galloylglucoside) (HMDB0039325)

MOL for HMDB0039325 (Gallic acid 3-O-(6-galloylglucoside))

3D MOL for HMDB0039325 (Gallic acid 3-O-(6-galloylglucoside))

3D SDF for HMDB0039325 (Gallic acid 3-O-(6-galloylglucoside))

3D-SDF for HMDB0039325 (Gallic acid 3-O-(6-galloylglucoside))

PDB for HMDB0039325 (Gallic acid 3-O-(6-galloylglucoside))

3D PDB for HMDB0039325 (Gallic acid 3-O-(6-galloylglucoside))

SMILES for HMDB0039325 (Gallic acid 3-O-(6-galloylglucoside))

INCHI for HMDB0039325 (Gallic acid 3-O-(6-galloylglucoside))

Structure for HMDB0039325 (Gallic acid 3-O-(6-galloylglucoside))

3D Structure for HMDB0039325 (Gallic acid 3-O-(6-galloylglucoside))

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra