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Chemical structure of Methylnissolin-3-O-glucoside

GC36597

Methylnissolin-3-O-glucoside

Also known as (2S,3R,4S,5S,6R)-2-[[(6aR,11aR)-9,10-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Methylnissolin-3-O-glucoside (Methylnissolin-3-O-β-D-glucoside) is a flavonoid from the roots of Astragalus membranaceus with anti-inflammatory effects

ChemicalCAS94367-42-7MW462.45FormulaC23H26O10
CAS number
94367-42-7
Molecular weight
462.45
Formula
C23H26O10
Solubility
Soluble in DMSO
InChIKey
PCIXSTFFMHVOMF-PBGSHFJYSA-N
Catalogue number
GC36597
Brand
GLPBIO
Computed properties PubChem CID 101679160 · XLogP 0.8 · TPSA 136 Ų · H-bond donors 4
XLogP
0.8
TPSA
136 Ų
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
33

SMILES COC1=C(C2=C(C=C1)[C@@H]3COC4=C([C@@H]3O2)C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC

Computed descriptors from PubChem (CID 101679160), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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