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Chemical structure of 6"-O-Malonyldaidzin

GC39586

6"-O-Malonyldaidzin

Also known as 3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid

6"-O-Malonyldaidzin is a malonylated isoflavone isolated from soybean seeds

ChemicalCAS124590-31-4MW502.42FormulaC24H22O12
CAS number
124590-31-4
Molecular weight
502.42
Formula
C24H22O12
Solubility
Soluble in DMSO
InChIKey
MTXMHWSVSZKYBT-ASDZUOGYSA-N
Catalogue number
GC39586
Brand
GLPBIO
Computed properties PubChem CID 9913968 · XLogP 0.4 · TPSA 189 Ų · H-bond donors 5
XLogP
0.4
TPSA
189 Ų
H-bond donors
5
H-bond acceptors
12
Rotatable bonds
8
Heavy atoms
36

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)COC(=O)CC(=O)O)O)O)O)O

Computed descriptors from PubChem (CID 9913968), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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