1.0 2010-04-08 22:12:34 UTC 2019-11-26 03:13:36 UTC FDB016676 Kaempferol 3-(2G-p-coumaroylrutinoside) Isolated from leaves of European chestnut (Castanea sativa). Kaempferol 3-(2G-p-coumaroylrutinoside) is found in nuts. 3,4',5,7-Tetrahydroxyflavone 3-O-[a-L-rhamnopyranosyl-(1->6)-[4-hydroxycinnamoyl-(->4)]-b-D-glucopyranoside] Kaempferol 2G-coumaroylrutinoside Kaempferol 3-(2G-p-coumaroylrutinoside) Kaempferol 3-[a-L-rhamnosyl-(1->6)-[4-hydroxycinnamoyl-(->4)]-b-D-glucoside] Kaempferol 3-[a-L-rhamnosyl-(1->6)-[p-coumaroyl-(->4)]-b-D-glucoside] Kaempferol 3-O-[a-L-rhamnopyranosyl-(1->6)-[4-hydroxycinnamoyl-(->4)]-b-D-glucopyranoside] C36H36O17 740.6608 740.195249726 2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 78510-18-6 CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(OC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C2O)C(O)C(O)C1O InChI=1S/C36H36O17/c1-15-26(42)29(45)31(47)35(49-15)48-14-23-27(43)30(46)34(52-24(41)11-4-16-2-7-18(37)8-3-16)36(51-23)53-33-28(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+ GOLQQIJBGPATQF-NYYWCZLTSA-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 2.19 ALOGPS logs -3.30 ALOGPS solubility 3.71e-01 g/l ALOGPS logp 2.17 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate ChemAxon average_mass 740.6608 ChemAxon mono_mass 740.195249726 ChemAxon smiles CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(OC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C2O)C(O)C(O)C1O ChemAxon formula C36H36O17 ChemAxon inchi InChI=1S/C36H36O17/c1-15-26(42)29(45)31(47)35(49-15)48-14-23-27(43)30(46)34(52-24(41)11-4-16-2-7-18(37)8-3-16)36(51-23)53-33-28(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+ ChemAxon inchikey GOLQQIJBGPATQF-NYYWCZLTSA-N ChemAxon polar_surface_area 271.59 ChemAxon refractivity 179.71 ChemAxon polarizability 73.17 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 16 ChemAxon donor_count 9 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 770421 Specdb::CMs 770422 Specdb::CMs 770423 Specdb::CMs 770424 Specdb::CMs 770425 Specdb::CMs 770426 Specdb::CMs 770427 Specdb::CMs 770428 Specdb::CMs 770429 Specdb::CMs 770430 Specdb::CMs 770431 Specdb::CMs 770432 Specdb::CMs 770433 Specdb::CMs 770434 Specdb::CMs 770435 Specdb::CMs 770436 Specdb::CMs 770437 Specdb::CMs 770438 Specdb::CMs 770439 Specdb::CMs 770440 Specdb::CMs 770441 Specdb::CMs 770442 Specdb::CMs 770443 Specdb::CMs 770444 Specdb::CMs 770445 Specdb::MsMs 98412 Specdb::MsMs 98413 Specdb::MsMs 98414 Specdb::MsMs 163326 Specdb::MsMs 163327 Specdb::MsMs 163328 Specdb::MsMs 2740105 Specdb::MsMs 2740106 Specdb::MsMs 2740107 Specdb::MsMs 2938989 Specdb::MsMs 2938990 Specdb::MsMs 2938991 HMDB37577 #<Reference:0x000055ce300bd7f0> Nuts Unknown generic