1.0 2010-04-08 22:14:56 UTC 2019-11-26 03:18:45 UTC FDB020307 Kaempferol 3-[2''-(p-coumaroylglucosyl)rhamnoside] Isolated from Ginkgo biloba (ginkgo). Kaempferol 3-[2''-(p-coumaroylglucosyl)rhamnoside] is found in fats and oils. 3,4',5,7-Tetrahydroxyflavone 3-O-[4-hydroxycinnamoyl-(->6)-b-D-glucopyranosyl-(1->2)-a-L-rhamnopyranoside] 3,4',5,7-Tetrahydroxyflavone 3-O-[p-coumaroyl-(->6)-b-D-glucosyl-(1->2)-a-L-rhamnoside] Kaempferol 3-[2''-(p-coumaroylglucosyl)rhamnoside] Kaempferol 3-[p-coumaroyl-(->6)-b-D-glucosyl-(1->2)-rhamnoside] Kaempferol 3-O-[p-coumaroyl-(->6)-b-D-glucosyl-(1->2)-a-L-rhamnoside] C36H36O17 740.6608 740.195249726 [(2R,3S,4S,5R,6S)-6-{[(3R,4R,5R,6S)-2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-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 [(2R,3S,4S,5R,6S)-6-{[(3R,4R,5R,6S)-2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-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 107190-70-5 C[C@@H]1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)[C@H](O[C@@H]2O[C@H](COC(=O)\C=C\C3=CC=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O InChI=1S/C36H36O17/c1-15-26(42)30(46)34(53-35-31(47)29(45)27(43)23(51-35)14-48-24(41)11-4-16-2-7-18(37)8-3-16)36(49-15)52-33-28(44)25-21(40)12-20(39)13-22(25)50-32(33)17-5-9-19(38)10-6-17/h2-13,15,23,26-27,29-31,34-40,42-43,45-47H,14H2,1H3/b11-4+/t15-,23+,26-,27+,29-,30+,31+,34+,35-,36?/m0/s1 KAJMZANRKFVVKV-CAUJCIISSA-N belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Flavonoid-3-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Carbonyl compounds Chromones Cinnamic acid esters Coumaric acid esters Coumaric acids and derivatives Disaccharides Enoate esters Fatty acid esters Flavones Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyranones and derivatives Secondary alcohols Styrenes Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Alpha,beta-unsaturated carboxylic ester Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester 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 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 Polyol Pyran Pyranone Secondary alcohol Styrene Vinylogous acid logp 2.27 ALOGPS logs -3.31 ALOGPS solubility 3.66e-01 g/l ALOGPS logp 2.17 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac [(2R,3S,4S,5R,6S)-6-{[(3R,4R,5R,6S)-2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-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 740.6608 ChemAxon mono_mass 740.195249726 ChemAxon smiles C[C@@H]1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)[C@H](O[C@@H]2O[C@H](COC(=O)\C=C\C3=CC=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O ChemAxon formula C36H36O17 ChemAxon inchi InChI=1S/C36H36O17/c1-15-26(42)30(46)34(53-35-31(47)29(45)27(43)23(51-35)14-48-24(41)11-4-16-2-7-18(37)8-3-16)36(49-15)52-33-28(44)25-21(40)12-20(39)13-22(25)50-32(33)17-5-9-19(38)10-6-17/h2-13,15,23,26-27,29-31,34-40,42-43,45-47H,14H2,1H3/b11-4+/t15-,23+,26-,27+,29-,30+,31+,34+,35-,36?/m0/s1 ChemAxon inchikey KAJMZANRKFVVKV-CAUJCIISSA-N ChemAxon polar_surface_area 271.59 ChemAxon refractivity 179.71 ChemAxon polarizability 70.84 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 16 ChemAxon donor_count 9 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 295996 Specdb::MsMs 295997 Specdb::MsMs 295998 Specdb::MsMs 337177 Specdb::MsMs 337178 Specdb::MsMs 337179 Specdb::MsMs 2376743 Specdb::MsMs 2376744 Specdb::MsMs 2376745 Specdb::MsMs 2562807 Specdb::MsMs 2562808 Specdb::MsMs 2562809 Specdb::CMs 69825 Specdb::CMs 770644 Specdb::CMs 770645 Specdb::CMs 770646 Specdb::CMs 770647 Specdb::CMs 770648 Specdb::CMs 770649 Specdb::CMs 770650 Specdb::CMs 770651 Specdb::CMs 770652 Specdb::CMs 770653 Specdb::CMs 770654 Specdb::CMs 770655 Specdb::CMs 770656 Specdb::CMs 770657 Specdb::CMs 770658 Specdb::CMs 770659 Specdb::CMs 770660 Specdb::CMs 770661 Specdb::CMs 770662 Specdb::CMs 770663 Specdb::CMs 770664 Specdb::CMs 770665 Specdb::CMs 770666 Specdb::CMs 770667 HMDB40538 #<Reference:0x000055ce306cff30> Fats and oils Unknown generic