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Chemical structure of 5,6,7,40-Tetrahydroxyisoflavone-6,7-di-o-b-D-glucopyranoside

GC35148

5,6,7,40-Tetrahydroxyisoflavone-6,7-di-o-b-D-glucopyranoside

Also known as 5-hydroxy-3-(4-hydroxyphenyl)-6,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one

5,6,7,40-Tetrahydroxyisoflavone-6,7-di-o-b-D-glucopyranoside is an isoflavonoid glycoside isolated from Pueraria lobata

ChemicalCAS1219001-04-3MW610.52FormulaC27H30O16
CAS number
1219001-04-3
Molecular weight
610.52
Formula
C27H30O16
Solubility
Soluble in DMSO
InChIKey
UZFVFMDEGBUPFO-ZZZQZPNGSA-N
Catalogue number
GC35148
Brand
GLPBIO
Computed properties PubChem CID 44207161 · XLogP -1.3 · TPSA 266 Ų · H-bond donors 10
XLogP
-1.3
TPSA
266 Ų
H-bond donors
10
H-bond acceptors
16
Rotatable bonds
7
Heavy atoms
43

SMILES C1=CC(=CC=C1C2=COC3=CC(=C(C(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O

Computed descriptors from PubChem (CID 44207161), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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