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Chemical structure of Quercetin 7-glucuronide

GC77077

Quercetin 7-glucuronide

Also known as (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Quercetin 7-glucuronide (Quercetin 7-O-β-glucuronide), a metabolite of Quercetin , can be isolated from Madagascarian Uncarina species

ChemicalCAS38934-20-2MW478.36FormulaC21H18O13
CAS number
38934-20-2
Molecular weight
478.36
Formula
C21H18O13
Solubility
H2O： ＜ 0·1 mg/mL (insoluble)
InChIKey
JXWGCVLNCGCZRU-JENRNSKYSA-N
Catalogue number
GC77077
Brand
GLPBIO
Computed properties PubChem CID 11641481 · XLogP 0.6 · TPSA 224 Ų · H-bond donors 8
XLogP
0.6
TPSA
224 Ų
H-bond donors
8
H-bond acceptors
13
Rotatable bonds
4
Heavy atoms
34

SMILES C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O)O

Computed descriptors from PubChem (CID 11641481), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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