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Chemical structure of Daidzein-4',7-diglucoside

GC68933

Daidzein-4',7-diglucoside

Also known as 7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one

Daidzein-4',7-diglucoside is a natural product that can be isolated from Radix puerariae

ChemicalCAS53681-67-7MW578.52FormulaC27H30O14
CAS number
53681-67-7
Molecular weight
578.52
Formula
C27H30O14
InChIKey
VWEWSCDQMVNOJP-IPOZFMEPSA-N
Catalogue number
GC68933
Brand
GLPBIO
Computed properties PubChem CID 171292 · XLogP -1.1 · TPSA 225 Ų · H-bond donors 8
XLogP
-1.1
TPSA
225 Ų
H-bond donors
8
H-bond acceptors
14
Rotatable bonds
7
Heavy atoms
41

SMILES C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O

Computed descriptors from PubChem (CID 171292), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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