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Chemical structure of Pinocembrin 7-O-[3''-O-galloyl-4'',6''-hexahydroxydiphenoyl]-β-D-glucoside

GC36921

Pinocembrin 7-O-[3''-O-galloyl-4'',6''-hexahydroxydiphenoyl]-β-D-glucoside

Also known as [(10R,11R,12R,13S,15R)-3,4,5,12,21,22,23-heptahydroxy-13-[[(2S)-5-hydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl]oxy]-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate

Pinocembrin 7-O-[3''-O-galloyl-4'',6''-hexahydroxydiphenoyl]-β-D-glucoside is a flavanone compound

ChemicalCAS205370-59-8MW872.69FormulaC42H32O21
CAS number
205370-59-8
Molecular weight
872.69
Formula
C42H32O21
Solubility
Soluble in DMSO
InChIKey
HJEXOQUMFMERIM-HTKTYWDRSA-N
Catalogue number
GC36921
Brand
GLPBIO
Computed properties PubChem CID 129896874 · XLogP 3.6 · TPSA 346 Ų · H-bond donors 11
XLogP
3.6
TPSA
346 Ų
H-bond donors
11
H-bond acceptors
21
Rotatable bonds
6
Heavy atoms
63

SMILES C1[C@H](OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@H]4[C@H](O3)COC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O4)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)C8=CC=CC=C8

Computed descriptors from PubChem (CID 129896874), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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