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Chemical structure of 6"-O-Acetyldaidzin

GC39585

6"-O-Acetyldaidzin

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

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

ChemicalCAS71385-83-6MW458.41FormulaC23H22O10
CAS number
71385-83-6
Molecular weight
458.41
Formula
C23H22O10
Solubility
Soluble in DMSO
InChIKey
ZMOZJTDOTOZVRT-DODNOZFWSA-N
Catalogue number
GC39585
Brand
GLPBIO
Computed properties PubChem CID 156155 · XLogP 0.7 · TPSA 152 Ų · H-bond donors 4
XLogP
0.7
TPSA
152 Ų
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
33

SMILES CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)O)O)O)O

Computed descriptors from PubChem (CID 156155), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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