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Chemical structure of Prunetin 5-O-β-D-glucopyranoside

GC61999

Prunetin 5-O-β-D-glucopyranoside

Also known as 3-(4-hydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Prunetin 5-O-β-D-glucopyranoside is an isoflavone isolated from extracts of Potentilla astracanica

ChemicalCAS89595-66-4MW446.4FormulaC22H22O10
CAS number
89595-66-4
Molecular weight
446.4
Formula
C22H22O10
InChIKey
AJAGLPDYKVWJQE-RECXWPGBSA-N
Catalogue number
GC61999
Brand
GLPBIO
Computed properties PubChem CID 184974 · XLogP 0.6 · TPSA 155 Ų · H-bond donors 5
XLogP
0.6
TPSA
155 Ų
H-bond donors
5
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
32

SMILES COC1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C(=CO2)C4=CC=C(C=C4)O

Computed descriptors from PubChem (CID 184974), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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