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Chemical structure of Rhapontigenin 3'-O-glucoside

GC39015

Rhapontigenin 3'-O-glucoside

Also known as (2S,3R,4S,5S,6R)-2-[5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Rhapontigenin 3'-O-glucoside is a derivative of Rhapontigenin· Rhapontigenin is a potent inactivator of human P450 1A1 and is a good candidate for a cancer chemopreventive agent

ChemicalCAS94356-22-6MW420.41FormulaC21H24O9
CAS number
94356-22-6
Molecular weight
420.41
Formula
C21H24O9
Solubility
Soluble in DMSO
InChIKey
NMZBFHDKUAVGLR-DXKBKAGUSA-N
Catalogue number
GC39015
Brand
GLPBIO
Computed properties PubChem CID 45033634 · XLogP 0.5 · TPSA 149 Ų · H-bond donors 6
XLogP
0.5
TPSA
149 Ų
H-bond donors
6
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
30

SMILES COC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

Computed descriptors from PubChem (CID 45033634), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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