Prunetin 5-glucoside

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

Also Known As: Prunetin 5-glucoside|Prunetin 5-O-|A-D-glucopyranoside|HY-N7683|Prunetin 5-O-??-D-glucopyranoside|Prunetin 5-O-beta-D-glucopyranoside|4H-1-Benzopyran-4-one, 5-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-7-methoxy-|5,4'-DIHYDROXY-7-METHOXYISOFLAVONE-4'-O-GLUCOSIDE|3-(4-hydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one|3-(4-Hydroxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-5-yl hexopyranoside|3-(4-Hydroxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-5-yl beta-D-glucopyranoside|3-(4-hydroxyphenyl)-7-methoxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

Molecular Formula	C22H22O10
Molecular Weight	446.1213 g/mol
LogP	0.6
Topological Polar Surface Area	155.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	10
Rotatable Bonds	5
Exact Mass	446.1213
Monoisotopic Mass	446.1213
Heavy Atoms	32
Complexity	690.0

Chemical Identifiers

CAS Number	89595-66-4
SMILES	COC1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C(=CO2)C4=CC=C(C=C4)O
InChIKey	AJAGLPDYKVWJQE-RECXWPGBSA-N