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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 00:33:07 UTC
Update Date2022-03-07 02:56:06 UTC
HMDB IDHMDB0039182
Secondary Accession Numbers
  • HMDB39182
Metabolite Identification
Common Name1,2,6-Trigalloyl-beta-D-glucopyranose
Description1,2,6-Trigalloyl-beta-D-glucopyranose belongs to the class of organic compounds known as tannins. These are naturally occurring polyphenols which be categorized into four main classes: hydrolyzable tannin (based on ellagic acid or gallic acid), condensed tannins (made of oligomeric or polymeric proanthocyanidins), complex tannins (made of a catechin bound to a gallotannin or elagitannin), and phlorotannins (oligomers of phloroglucinol). 1,2,6-Trigalloyl-beta-D-glucopyranose has been detected, but not quantified in, several different foods, such as fruits, garden rhubarbs (Rheum rhabarbarum), pomegranates (Punica granatum), and red raspberries (Rubus idaeus). This could make 1,2,6-trigalloyl-beta-D-glucopyranose a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 1,2,6-Trigalloyl-beta-D-glucopyranose.
Structure
Data?1563863328
Synonyms
ValueSource
1,2,6-Trigalloyl-b-D-glucopyranoseGenerator
1,2,6-Trigalloyl-β-D-glucopyranoseGenerator
1,2,6-Tri-O-galloyl-beta-D-glucoseHMDB
1-O,2-O,6-O-Trigalloyl-beta-D-glucoseHMDB
beta-D-Glucopyranose, 1,2,6-tris(3,4,5-trihydroxybenzoate)HMDB
[3,4-Dihydroxy-5,6-bis(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoic acidGenerator
Chemical FormulaC27H24O18
Average Molecular Weight636.4687
Monoisotopic Molecular Weight636.096263964
IUPAC Name4,5-dihydroxy-2-(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxybenzoate
Traditional Name4,5-dihydroxy-2-(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxybenzoate
CAS Registry Number79886-49-0
SMILES
OC1C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)OC1COC(=O)C1=CC(O)=C(O)C(O)=C1
InChI Identifier
InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)22(38)23(44-25(40)9-3-13(30)19(35)14(31)4-9)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2
InChI KeyLLENXGNWVNSBQG-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as tannins. These are naturally occurring polyphenols which be categorized into four main classes: Hydrolyzable tannin (based on ellagic acid or gallic acid), condensed tannins (made of oligomeric or polymeric proanthocyanidins), complex tannins (made of a catechin bound to a gallotannin or elagitannin), and phlorotannins (oligomers of phloroglucinol).
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassTannins
Sub ClassNot Available
Direct ParentTannins
Alternative Parents
Substituents
  • Tannin
  • Galloyl ester
  • Gallic acid or derivatives
  • P-hydroxybenzoic acid alkyl ester
  • M-hydroxybenzoic acid ester
  • P-hydroxybenzoic acid ester
  • Benzoate ester
  • Benzenetriol
  • Benzoic acid or derivatives
  • Tricarboxylic acid or derivatives
  • Pyrogallol derivative
  • Benzoyl
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Monosaccharide
  • Oxane
  • Monocyclic benzene moiety
  • Benzenoid
  • Carboxylic acid ester
  • 1,2-diol
  • Secondary alcohol
  • Acetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Carboxylic acid derivative
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Alcohol
  • Organic oxide
  • Organooxygen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility512.4 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.17 g/LALOGPS
logP1.96ALOGPS
logP1.82ChemAxon
logS-2.7ALOGPS
pKa (Strongest Acidic)7.63ChemAxon
pKa (Strongest Basic)-5.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count15ChemAxon
Hydrogen Donor Count11ChemAxon
Polar Surface Area310.66 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity143.22 m³·mol⁻¹ChemAxon
Polarizability59.2 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+242.31231661259
DarkChem[M-H]-227.98831661259
DeepCCS[M+H]+232.29330932474
DeepCCS[M-H]-230.46830932474
DeepCCS[M-2H]-263.70930932474
DeepCCS[M+Na]+237.90730932474
AllCCS[M+H]+231.132859911
AllCCS[M+H-H2O]+230.132859911
AllCCS[M+NH4]+232.032859911
AllCCS[M+Na]+232.232859911
AllCCS[M-H]-226.632859911
AllCCS[M+Na-2H]-228.232859911
AllCCS[M+HCOO]-230.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
1,2,6-Trigalloyl-beta-D-glucopyranoseOC1C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)OC1COC(=O)C1=CC(O)=C(O)C(O)=C17835.6Standard polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranoseOC1C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)OC1COC(=O)C1=CC(O)=C(O)C(O)=C15287.2Standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranoseOC1C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)OC1COC(=O)C1=CC(O)=C(O)C(O)=C15956.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
1,2,6-Trigalloyl-beta-D-glucopyranose,1TMS,isomer #1C[Si](C)(C)OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O6053.9Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,1TMS,isomer #2C[Si](C)(C)OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C16020.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,1TMS,isomer #3C[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O6036.4Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,1TMS,isomer #4C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)C=C1O5982.7Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,1TMS,isomer #5C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O6036.0Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,1TMS,isomer #6C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O5983.0Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,1TMS,isomer #7C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O6035.0Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,1TMS,isomer #8C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)C=C1O5982.7Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #1C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O5923.7Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #10C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O5879.2Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #11C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O5867.0Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #12C[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O5879.3Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #13C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)C=C1O5866.3Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #14C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=CC(O)=C1O5826.1Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #15C[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O5802.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #16C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O5825.6Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #17C[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O5801.3Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #18C[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O5866.7Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #19C[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C5795.6Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #2C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)C=C1O5903.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #20C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O)=C1O5802.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #21C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C=C1O5725.6Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #22C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O5798.1Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #23C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)C=C1O5726.4Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #24C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O5825.5Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #25C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O5802.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #26C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O[Si](C)(C)C)=C1O5866.9Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #27C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O[Si](C)(C)C5797.5Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #28C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O5800.0Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #29C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)C=C1O5727.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #3C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O5924.6Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #30C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O5864.5Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #31C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C5795.3Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #4C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O5905.7Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #5C[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O5924.5Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #6C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)C=C1O5904.5Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #7C[Si](C)(C)OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O[Si](C)(C)C5970.3Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #8C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O5877.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #9C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)C=C1O5864.6Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #1C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O5705.5Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #10C[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O5678.4Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #11C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O[Si](C)(C)C)C=C1O5629.1Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #12C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O5787.0Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #13C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O5795.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #14C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=CC(O)=C1O5708.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #15C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O)=C1O5678.9Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #16C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O[Si](C)(C)C)=C1O5749.6Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #17C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O[Si](C)(C)C5710.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #18C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O5788.0Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #19C[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O5679.1Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #2C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O5676.4Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #20C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C=C1O5629.3Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #21C[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O5794.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #22C[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O5747.4Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #23C[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C5708.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #24C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O5786.3Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #25C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O5657.5Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #26C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O5631.7Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #27C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O5657.5Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #28C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O5629.4Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #29C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O5708.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #3C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O5704.3Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #30C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C5660.7Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #31C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O5636.0Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #32C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)C=C1O5591.5Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #33C[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O5633.9Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #34C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O)C=C1O5589.4Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #35C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=CC(O)=C1O5661.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #36C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O)=C1O5633.6Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #37C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O[Si](C)(C)C)=C1O5707.3Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #38C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O[Si](C)(C)C5664.5Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #39C[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O5634.1Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #4C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O5674.3Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #40C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C=C1O5590.5Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #41C[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O5707.1Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #42C[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C5663.1Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #43C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O5583.5Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #44C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=CC(O)=C1O5545.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #45C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=CC(O)=C1O5656.7Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #46C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O)=C1O5594.9Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #47C[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O5657.7Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #48C[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O5596.5Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #49C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O5540.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #5C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O5792.7Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #50C[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O5462.4Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #51C[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O5618.5Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #52C[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C5552.4Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #53C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O5652.3Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #54C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O5591.4Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #55C[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O5651.6Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #56C[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O5592.0Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #57C[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O5618.2Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #58C[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C5552.2Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #59C[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C5650.9Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #6C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O5747.6Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #60C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O5540.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #61C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O)=C1O5463.1Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #62C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O[Si](C)(C)C)=C1O5618.2Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #63C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O)=C1O[Si](C)(C)C5552.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #64C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O5458.9Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #65C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)C=C1O5375.2Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #66C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O5613.6Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #67C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C5549.2Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #68C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O5653.3Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #69C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O5593.7Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #7C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C5707.0Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #70C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O5652.9Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #71C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O5593.4Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #72C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O[Si](C)(C)C)=C1O5620.2Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #73C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O[Si](C)(C)C5554.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #74C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C5650.9Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #75C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O5615.0Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #76C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C5551.3Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #77C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C5651.4Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #8C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O5680.1Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #9C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)C=C1O5631.0Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O6309.0Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C16264.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O6198.1Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)C=C1O6211.6Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O6198.1Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O6211.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O6196.6Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,1TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)C=C1O6211.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O6359.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O6295.4Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O6270.0Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O6295.3Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O6268.2Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=CC(O)=C1O6243.4Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O6221.9Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C2O)=CC(O)=C1O6239.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O6220.2Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O6282.6Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C6217.7Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O6331.6Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=CC(O)=C1O6222.2Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C=C1O6192.3Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O6217.5Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C2O)C=C1O6193.0Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O6240.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O6221.3Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O[Si](C)(C)C(C)(C)C)=C1O6283.1Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O[Si](C)(C)C(C)(C)C6218.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O6218.5Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)C=C1O6194.3Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O6362.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O6284.5Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C6214.6Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O6331.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(O)=C1O6361.5Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O6331.0Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O[Si](C)(C)C(C)(C)C6498.8Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(O)=C1O6294.1Semi standard non polar33892256
1,2,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O6269.5Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose GC-MS (Non-derivatized) - 70eV, Positivesplash10-014i-0310900000-dc31a476600c836a9cf42017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose 10V, Positive-QTOFsplash10-014r-0530905000-5ec3a997328b37f7de832016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose 20V, Positive-QTOFsplash10-0gba-0950702000-f7dc769fd4f43bc0cebd2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose 40V, Positive-QTOFsplash10-0udi-0920110000-2c288890a11e51190c972016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose 10V, Negative-QTOFsplash10-014r-0910504000-1ee75d2a4a696230dd372016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose 20V, Negative-QTOFsplash10-014i-0920200000-a14a890a28f2f8c7d5b92016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose 40V, Negative-QTOFsplash10-014i-0900000000-a3498ec95183d397a6bb2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose 10V, Negative-QTOFsplash10-000i-0000509000-802f8d7308c719d69c672021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose 20V, Negative-QTOFsplash10-00kb-0593814000-409f25036a03cd988ace2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose 40V, Negative-QTOFsplash10-00or-0900010000-4c0811c5ec2def5a95d62021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose 10V, Positive-QTOFsplash10-0gba-0670901000-fc7fa4318856fde813412021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose 20V, Positive-QTOFsplash10-0uy0-0930532000-6fe291ea4fd0fb54b0f92021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,2,6-Trigalloyl-beta-D-glucopyranose 40V, Positive-QTOFsplash10-0fvr-4911111000-bacd5a092ef3232ed9902021-09-23Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB018710
KNApSAcK IDC00035453
Chemspider ID2603752
KEGG Compound IDC04360
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound3357644
PDB IDNot Available
ChEBI ID27395
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1495411
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Enzymes

General function:
Lipid transport and metabolism
Specific function:
Involved in the detoxification of xenobiotics and in the activation of ester and amide prodrugs. Hydrolyzes aromatic and aliphatic esters, but has no catalytic activity toward amides or a fatty acyl-CoA ester. Hydrolyzes the methyl ester group of cocaine to form benzoylecgonine. Catalyzes the transesterification of cocaine to form cocaethylene. Displays fatty acid ethyl ester synthase activity, catalyzing the ethyl esterification of oleic acid to ethyloleate.
Gene Name:
CES1
Uniprot ID:
P23141
Molecular weight:
62520.62
Reactions
1,2,6-Trigalloyl-beta-D-glucopyranose → 2,6-Digalloylglucosedetails
1,2,3,6-Tetragalloyl-beta-D-glucopyranose → 1,2,6-Trigalloyl-beta-D-glucopyranosedetails