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Chemical structure of 6"-O-Acetylgenistin

GC39694

6"-O-Acetylgenistin

Also known as [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate

6"-O-Acetylgenistin is an isoflavone glycoside isolated from soybeans

ChemicalCAS73566-30-0MW474.41FormulaC23H22O11
CAS number
73566-30-0
Molecular weight
474.41
Formula
C23H22O11
Solubility
Soluble in DMSO
InChIKey
DXWGBJJLEDQBKS-LDBVRRDLSA-N
Catalogue number
GC39694
Brand
GLPBIO
Computed properties PubChem CID 5315831 · XLogP 0.9 · TPSA 172 Ų · H-bond donors 5
XLogP
0.9
TPSA
172 Ų
H-bond donors
5
H-bond acceptors
11
Rotatable bonds
6
Heavy atoms
34

SMILES CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O)O)O)O

Computed descriptors from PubChem (CID 5315831), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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