1.0 2010-04-08 22:14:54 UTC 2019-11-26 03:18:40 UTC FDB020244 Quercetin 3-(6'''-p-coumarylglucosyl)(1->2)-rhamnoside 7-glucoside Isolated from Ginkgo biloba (ginkgo). Quercetin 3-(6'''-p-coumarylglucosyl)(1->2)-rhamnoside 7-glucoside is found in ginkgo nuts and fats and oils. Quercetin 3-(6'''-p-coumarylglucosyl)(1->2)-rhamnoside-7-glucoside C42H46O23 918.8008 918.242987778 {6-[(2-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate {6-[(2-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-3-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 143016-73-3 CC1OC(OC2=C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C1O InChI=1S/C42H46O23/c1-15-28(49)34(55)39(65-41-36(57)33(54)30(51)25(63-41)14-58-26(48)9-4-16-2-6-18(44)7-3-16)42(59-15)64-38-31(52)27-22(47)11-19(60-40-35(56)32(53)29(50)24(13-43)62-40)12-23(27)61-37(38)17-5-8-20(45)21(46)10-17/h2-12,15,24-25,28-30,32-36,39-47,49-51,53-57H,13-14H2,1H3/b9-4+ SHRUKDVTMUBNTL-RUDMXATFSA-N belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Flavonoid-7-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Carbonyl compounds Catechols Chromones Cinnamic acid esters Coumaric acid esters Coumaric acids and derivatives Disaccharides Enoate esters Fatty acid esters Flavones Flavonoid-3-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Styrenes Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Alpha,beta-unsaturated carboxylic ester Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Catechol Chromone Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid ester Coumaric acid or derivatives Disaccharide Enoate ester Fatty acid ester Fatty acyl Flavone Flavonoid-3-o-glycoside Flavonoid-7-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxycinnamic acid or derivatives Hydroxyflavonoid Monocarboxylic acid or derivatives Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Pyran Pyranone Secondary alcohol Styrene Vinylogous acid logp 1.06 ALOGPS logs -2.84 ALOGPS solubility 1.34e+00 g/l ALOGPS logp -0.41 ChemAxon pka_strongest_acidic 8.09 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac {6-[(2-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate ChemAxon average_mass 918.8008 ChemAxon mono_mass 918.242987778 ChemAxon smiles CC1OC(OC2=C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C1O ChemAxon formula C42H46O23 ChemAxon inchi InChI=1S/C42H46O23/c1-15-28(49)34(55)39(65-41-36(57)33(54)30(51)25(63-41)14-58-26(48)9-4-16-2-6-18(44)7-3-16)42(59-15)64-38-31(52)27-22(47)11-19(60-40-35(56)32(53)29(50)24(13-43)62-40)12-23(27)61-37(38)17-5-8-20(45)21(46)10-17/h2-12,15,24-25,28-30,32-36,39-47,49-51,53-57H,13-14H2,1H3/b9-4+ ChemAxon inchikey SHRUKDVTMUBNTL-RUDMXATFSA-N ChemAxon polar_surface_area 370.97 ChemAxon refractivity 213.84 ChemAxon polarizability 88.68 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 22 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 318604 Specdb::MsMs 318605 Specdb::MsMs 318606 Specdb::MsMs 365416 Specdb::MsMs 365417 Specdb::MsMs 365418 Specdb::MsMs 2796725 Specdb::MsMs 2796726 Specdb::MsMs 2796727 Specdb::MsMs 2881505 Specdb::MsMs 2881506 Specdb::MsMs 2881507 Specdb::NmrOneD 40722 Specdb::NmrOneD 40723 Specdb::NmrOneD 40724 Specdb::NmrOneD 40725 Specdb::NmrOneD 40726 Specdb::NmrOneD 40727 Specdb::NmrOneD 40728 Specdb::NmrOneD 40729 Specdb::NmrOneD 40730 Specdb::NmrOneD 40731 Specdb::NmrOneD 40732 Specdb::NmrOneD 40733 Specdb::NmrOneD 40734 Specdb::NmrOneD 40735 Specdb::NmrOneD 40736 Specdb::NmrOneD 40737 Specdb::NmrOneD 40738 Specdb::NmrOneD 40739 Specdb::NmrOneD 40740 Specdb::NmrOneD 40741 HMDB40485 #<Reference:0x000055ce32574a30> Fats and oils Unknown generic Ginkgo nuts Type 1 specific Ginkgo biloba 3311