Quercetin 3-(6''-galloylgalactoside) structure

Quercetin 3-(6''-galloylgalactoside)

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

Also Known As: Hyperin 6''-gallate|Quercetin 3-O-(6''-galloyl)-beta-D-galactopyranoside|6''-O-Galloylhyperin|MEGxp0_000271|ACon1_001088|Quercetin 3-(6-O-galloylgalactoside)|HY-N7024|NP2034|Quercetin 3-(6''-galloylgalactoside)|Quercetin 3-O-(6''-galloyl)-|A-D-galactopyranoside|quercetin 3-O-(6"-galloyl)-galactoside|[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate|Quercetin 3-O-(6-O-galloyl)-beta-D-galactopyranoside|Quercetin 3-(6-O-galloyl-beta-D-galactopyranoside)|Quercetin 3-O-(6''-galloyl)--D-galactopyranoside|Quercetin-3-O-beta-(6 -galloylgalactoside)|Quercetin 3-O-(6''-galloyl)-??-D-galactopyranoside|Quercetin 3-O-beta-D-(6 -galloyl)-galactoside|((2R,3R,4S,5R,6S)-6-((2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl 3,4,5-trihydroxybenzoate|Quercetin-3-O-(6 -O-galloyl)-beta-D-galactopyranoside|3 ,4 ,5,7-Tetrahydroxy-3-(6-O-galloyl-beta-D-galactopyranosyloxy)flavone|3-[(6-O-Galloyl-beta-D-galactopyranosyl)oxy]-3 ,4 ,5,7-tetrahydroxyflavone|((2R,3R,6S)-6-(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl)oxy-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate|[(2R,3R,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate|[(2R,3R,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate|2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 6-O-(3,4,5-trihydroxybenzoyl)-beta-D-galactopyranoside|2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 6-O-(3,4,5-trihydroxybenzoyl)hexopyranoside|3 ,4 ,5,7-Tetrahydroxy-3-[6-O-(3,4,5-trihydroxybenzoyl)-beta-D-galactopyranosyloxy]flavone|3-(6-O-Galloyl-beta-D-galactopyranosyloxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one|3-(6-O-Galloyl-beta-D-galactopyranosyloxy)-5,7-dihydroxy-2-(3,4-dihydroxyphenyl)-4H-1-benzopyran-4-one|3-[6-O-(3,4,5-Trihydroxybenzoyl)-beta-D-galactopyranosyloxy]-3 ,4 ,5,7-tetrahydroxyflavone|5,7-Dihydroxy-2-(3,4-dihydroxyphenyl)-3-[6-O-(3,4,5-trihydroxybenzoyl)-beta-D-galactopyranosyloxy]-4H-1-benzopyran-4-one|Benzoic acid, 3,4,5-trihydroxy-, 6'-ester with 2-(3,4-dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one

CAS: 56508-10-2
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 56508-10-2
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)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O)O)O

Product Overview

Quercetin 3-(6''-galloylgalactoside) (CAS 56508-10-2), with molecular formula C28H24O16 and molecular weight 616.10645 g/mol. IUPAC: [(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate.

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