2''-O-Galloylhyperin structure

2''-O-Galloylhyperin

[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate

Also Known As: 2''-O-Galloylhyperin|Quercetin 3-(2-O-galloylglucoside)|HY-N11538|Quercetin 3-glucoside2 -gallate|quercetin-3-O-(2''-gallate)-glucoside|Quercetin-3-O-(2''-O-galloyl)-beta-D-glucopyranoside|quercetin-3-O-D-(2''-gallate)-glucoside|Quercetin 3-glucoside 2 -O-gallate|Quercetin 3-O-(2 -galloyl)glucoside|2 -O-(3,4,5-Trihydroxybenzoyl)hyperin|quercetin 3-O-(2''-O-galloyl)-beta-D-glucoside|Quercetin-3-O-(2-O-galloyl)-beta-D-glucopyranoside|Quercetin 3-O-(6''-galloyl)-beta-D-glucopyranoside|Quercetin-3-O-(2''-O-galloyl)-|?-D-glucopyranoside|Quercetin-3-O-(2''-O-galloyl)-|A-D-glucopyranoside|Quercetin-3-O-(2 inverted exclamation marka inverted exclamation marka-O-galloyl)-|A-D-glucopyranoside|[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] 3,4,5-trihydroxybenzoate|[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate|Quercetin-3-O-(2a(2)a(2)-O-galloyl)-I(2)-D-glucopyranoside|4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[2-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-|3-(2-O-Galloyl-beta-D-glucopyranosyloxy)-3 ,4 ,5,7-tetrahydroxyflavone|3-(2-O-Galloyl-beta-D-glucopyranosyloxy)-5,7,3 ,4 -tetrahydroxyflavone|3-[(2-O-Galloyl-beta-D-glucopyranosyl)oxy]-3 ,4 ,5,7-tetrahydroxyflavone|(2S,3R,4S,5S,6R)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate|2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-(2-O-galloyl-beta-D-glucopyranosyloxy)-4H-1-benzopyran-4-one|2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 2-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside|2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 2-O-galloyl-beta-D-glucopyranoside|3-(2-O-Galloyl-beta-D-glucopyranosyloxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one|3-[[2-O-(3,4,5-Trihydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-3 ,4 ,5,7-tetrahydroxyflavone|3-[2-O-(3,4,5-Trihydroxybenzoyl)-beta-D-glucopyranosyloxy]-3 ,4 ,5,7-tetrahydroxyflavone|3-[2-O-(3,4,5-Trihydroxybenzoyl)-beta-D-glucopyranosyloxy]-5,7-dihydroxy-2-(3,4-dihydroxyphenyl)-4H-1-benzopyran-4-one|4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[2-O-(3,4,5-trihydroxybenzoyl)-|A-D-glucopyranosyl]oxy]-

CAS: 56316-75-7
Molecular Formula C28H24O16
Molecular Weight 616.10645 g/mol
LogP 0.4426
Topological Polar Surface Area 277.27 Ų
Hydrogen Bond Donors 10
Hydrogen Bond Acceptors 16
Rotatable Bonds 6
Exact Mass 616.10645
Monoisotopic Mass 616.10645
Heavy Atoms 44
Complexity 1791.1516

Chemical Identifiers

CAS Number 56316-75-7
SMILES C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O

Product Overview

2''-O-Galloylhyperin (CAS 56316-75-7), with molecular formula C28H24O16 and molecular weight 616.10645 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate.

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