 Home > Encyclopedia > 3-(4-hydroxyphenyl)-5-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

3-(4-hydroxyphenyl)-5-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

3-(4-hydroxyphenyl)-5-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one structure

CAS No:
128856-77-9
Formula:
C22H22O10
Chemical Name:
3-(4-hydroxyphenyl)-5-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Synonyms:
5-O-methylgenistein 7-O-beta-glucoside;7-O-beta-glucopyranosyl-4'-hydroxy-5-methoxyisoflavone;GPHMI;GPHMI;128856-77-9;3-(4-hydroxyphenyl)-5-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;5-O-Methylgenistin;Isoprunetin 7-O-glucoside;MEGxp0_000225;CHEMBL4161741;ACon1_000200;DTXSID90926220;ZINC31155618;Isoprunetin 7-O-beta-D-glucopyranoside;MCULE-6041606508;5-O-Methylgenistein 7-O-beta-glucoside;NCGC00180788-01;Isoprunetin 7-O-glucoside, >=90% (LC/MS-ELSD);BRD-K31181727-001-01-6;7-O-beta-Glucopyranosyl-4'-hydroxy-5-methoxyisoflavone;3-(4-Hydroxyphenyl)-5-methoxy-4-oxo-4H-1-benzopyran-7-yl hexopyranoside;4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-5-methoxy-;NCGC00180788-02!3-(4-hydroxyphenyl)-5-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

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3-(4-hydroxyphenyl)-5-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one Basic Attributes

Molecular Weight：

446.4 g/mol

Exact Mass：

446.12129689 g/mol

Characteristics

PSA：

155 Å²

Drug Information

MeSH Entry Terms：

5-O-methylgenistein 7-O-beta-glucoside

Computed Properties

Molecular Weight:446.4
XLogP3:0.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:446.12129689
Monoisotopic Mass:446.12129689
Topological Polar Surface Area:155
Heavy Atom Count:32
Complexity:690
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(4-hydroxyphenyl)-5-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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