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Chemical structure of 6''-O-Acetylglycitin

GC35181

6''-O-Acetylglycitin

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

6''-O-Acetylglycitin, a acetyl glucoside, is one of the isoflavone isomer in soybeans, shows various extents of content reduction dependent on storage temperature, packaging condition, and its isoflavone isomer kind

ChemicalCAS134859-96-4MW488.44FormulaC24H24O11
CAS number
134859-96-4
Molecular weight
488.44
Formula
C24H24O11
Solubility
DMSO ： 100 mg/mL (204·73 mM; Need ultrasonic)
InChIKey
DUBPGEJGGVZKDD-PFKOEMKTSA-N
Catalogue number
GC35181
Brand
GLPBIO
Computed properties PubChem CID 10228095 · XLogP 0.7 · TPSA 161 Ų · H-bond donors 4
XLogP
0.7
TPSA
161 Ų
H-bond donors
4
H-bond acceptors
11
Rotatable bonds
7
Heavy atoms
35

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

Computed descriptors from PubChem (CID 10228095), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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