7-(β-D-Glucopyranosyloxy)-3-methoxy-5-hydroxy-2-(3,4-dihydroxyphenyl)-4H-1-benzopyran-4-one
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7-(β-D-Glucopyranosyloxy)-3-methoxy-5-hydroxy-2-(3,4-dihydroxyphenyl)-4H-1-benzopyran-4-one
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CAS No:
26931-68-0
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Formula:
C22H22O12
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Chemical Name:
7-(β-D-Glucopyranosyloxy)-3-methoxy-5-hydroxy-2-(3,4-dihydroxyphenyl)-4H-1-benzopyran-4-one
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Synonyms:
Transilin;CHEBI:67937;3-O-methylquercetin-7-O-beta-D-glucopyranoside;CHEMBL260805;3-O-methylquercetin-7-O- -D-glucopyranoside;Q23804606;2-(3,4-dihydroxyphenyl)-5-hydroxy-3-methoxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside
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CAS No:
Description
3-O-methylquercetin-7-O-beta-D-glucopyranoside is a quercetin O-glucoside that is 3-O-methylquercetin attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has been isolated from Ophioglossum pedunculosum and Lepisorus contortus. It has a role as a metabolite and a plant metabolite. It is a quercetin O-glucoside, a beta-D-glucoside and a monosaccharide derivative.
7-(β-D-Glucopyranosyloxy)-3-methoxy-5-hydroxy-2-(3,4-dihydroxyphenyl)-4H-1-benzopyran-4-one Basic Attributes
478.40288
478.111
Computed Properties
Molecular Weight:478.4
XLogP3:0.7
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:5
Exact Mass:478.11112613
Monoisotopic Mass:478.11112613
Topological Polar Surface Area:196
Heavy Atom Count:34
Complexity:773
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
7-(β-D-Glucopyranosyloxy)-3-methoxy-5-hydroxy-2-(3,4-dihydroxyphenyl)-4H-1-benzopyran-4-one
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