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29741-10-4

29741-10-4 structural image
Product Name: luteolin-7-glucuronide
Formula: C21H18O12
Synonyms: 2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl-β-D-glucopyranosiduronic acid;3′,4′,5,7-Tetrahydroxy-7-β-D-glucopyranuronoside flavone;3′,4′,5,7-Tetrahydroxyflavone 7-glucuronide;Cyanidenon 7-glucuronide;Cyanidenon-7-O-β-D-glucuronic acid
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COMPUTED DESCRIPTORS

Molecular Weight 462.4 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 7
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 4
Exact Mass 462.07982601 g/mol
Monoisotopic Mass 462.07982601 g/mol
Topological Polar Surface Area 203 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 785
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Luteolin 7-O-beta-D-glucosiduronic acid is a luteolin glucosiduronic acid consisting of luteolin having a beta-D-glucosiduronic acid residue attached at the 7-position. It has a role as a metabolite. It is a trihydroxyflavone, a glycosyloxyflavone, a monosaccharide derivative and a luteolin O-glucuronoside. It is a conjugate acid of a luteolin 7-O-beta-D-glucosiduronate and a luteolin 7-O-beta-D-glucosiduronate(2-).