Quercetin 3-O-(6′′-malonylglucoside)
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Quercetin 3-O-(6′′-malonylglucoside)
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CAS No:
96862-01-0
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Formula:
C24H22O15
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Chemical Name:
Quercetin 3-O-(6′′-malonylglucoside)
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Synonyms:
4H-1-Benzopyran-4-one,3-[[6-O-(2-carboxyacetyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-;4H-1-Benzopyran-4-one,3-[[6-O-(carboxyacetyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-;3-[[6-O-(2-Carboxyacetyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-O-(6′′-malonylglucoside);Quercetin 3-O-(6′′-O-malonyl)-β-D-glucoside;Quercetin 3-O-(6-O-malonyl)-β-D-glucoside;Quercetin malonylglucoside;Quercetin-3-O-β-D-glucoside-6"-O-malonate;Quercetin-3-O-(6-O-malonyl-β-D-glucopyranoside;Quercetin-3-O-6′-malonyl-glucoside;Quercetin 3-O-(6′′-O-malonyl)glucoside;Luteolin 7-O-(6′′-O-malonyl)-β-D-glucopyranoside;387398-04-1
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CAS No:
Description
Quercetin 3-O-(6-O-malonyl-beta-D-glucoside) is a quercetin O-glucoside that is quercetin attached to a 6-O-malonyl-beta-D-glucopyranosyl residue at position 3 via a glycosidic linkage. It has a role as a plant metabolite and a metabolite. It is a quercetin O-glucoside, a malonate ester, a beta-D-glucoside, a monosaccharide derivative and a tetrahydroxyflavone.
Computed Properties
Molecular Weight:550.4
XLogP3:0.1
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:8
Exact Mass:550.09586999
Monoisotopic Mass:550.09586999
Topological Polar Surface Area:250
Heavy Atom Count:39
Complexity:967
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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