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Chemical structure of Malonylgenistin

GC33568

Malonylgenistin

Also listed as 6''-O-Malonylgenistin (Malonylgenistin)

6''-O-Malonylgenistin (Malonylgenistin)(Malonylgenistin) is an isoflavone derivative

ChemicalCAS51011-05-3MW518.42FormulaC24H22O13
CAS number
51011-05-3
Molecular weight
518.42
Formula
C24H22O13
Solubility
DMSO ： 100 mg/mL (192·89 mM; Need ultrasonic)
InChIKey
FRAUJUKWSKMNJY-RSEYPYQYSA-N
Catalogue number
GC33568
Brand
GLPBIO
Computed properties PubChem CID 15934091 · XLogP 0.6 · TPSA 210 Ų · H-bond donors 6
XLogP
0.6
TPSA
210 Ų
H-bond donors
6
H-bond acceptors
13
Rotatable bonds
8
Heavy atoms
37

SMILES C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)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 15934091), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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