Quercetin 3-o-beta-D-(6''-o-malonyl)-glucoside

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

Also Known As: Quercetin 3-O-malonylglucoside|Trinaquercemalonoside|malonated isoquercetin|malonated isoquercitrin|Quercetin malonylglucosid|Quercetin malonylglucoside|Quercetin 3-O-(6''-o-malonyl)-beta-D-glucoside|Quercetin 3-O-(6''-malonylglucoside)|quercetin 3-malonylglucoside|MEGxp0_000167|Quercetin-3-O-(6''-malonylglucoside)|Quercetin 3-(6-malonylglucoside)|Quercetin 3-(6''-malonylglucoside)|Isoquercitrin 6 -malonate|MolPort-001-740-345|HY-N9397|Quercetin 3-O-(6''-O-malonyl)-|A-D-glucoside|Quercetin 3-(6-O-malonylglucoside)|Quercetin 3-o-beta-D-(6''-o-malonyl)-glucoside|Quercetin 3-O-(6-o-malonyl)-beta-D-glucoside|Quercetin 3-O-(6-O-malonyl-beta-D-glucoside)|Quercetin-3-(6''-malonyl)-Glucoside|quercetin 3-O-(6''-malonyl-glucoside)|quercetin 3-O-(6''-O-malonyl)glucoside|Quercetin 3-O-(6-malonylglucopyranoside)|Quercetin 3-(6 -malonylglucoside)|quercetin-3-O-(6''-O-malonyl)-glucoside|Quercetin 3-O-(6-O-malonyl)-b-D-glucoside|Quercetin-3-O-(6 -malonylglucoside)|Quercetin 3-O-(6 -O-malonylglucoside)|Quercetin-3-O-(6''-O-malonyl)-beta-D-glucopyranoside

Molecular Formula	C24H22O15
Molecular Weight	550.0959 g/mol
LogP	-0.5133
Topological Polar Surface Area	253.88 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	14
Rotatable Bonds	7
Exact Mass	550.0959
Monoisotopic Mass	550.0959
Heavy Atoms	39
Complexity	1478.6085

Chemical Identifiers

CAS Number	96862-01-0
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)CC(=O)O)O)O)O)O)O