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Chemical structure of 1,2,6-Tri-O-galloyl-β-D-glucose

GC71900

1,2,6-Tri-O-galloyl-β-D-glucose

Also known as [(5R)-4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate

1,2,6-Tri-O-galloyl-β-D-glucose can be extracted from Sanguisorba oficinalis

ChemicalCAS79886-49-0MW636.47FormulaC27H24O18
CAS number
79886-49-0
Molecular weight
636.47
Formula
C27H24O18
Solubility
DMSO ： 50 mg/mL (78·56 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
KCQFLGUEZXYOER-IPKUFKRGSA-N
Catalogue number
GC71900
Brand
GLPBIO
Computed properties PubChem CID 124024 · XLogP 0.1 · TPSA 311 Ų · H-bond donors 11
XLogP
0.1
TPSA
311 Ų
H-bond donors
11
H-bond acceptors
18
Rotatable bonds
11
Heavy atoms
45

SMILES C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C([C@@H](O2)O)(COC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O

Computed descriptors from PubChem (CID 124024), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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