1.02010-04-08 22:05:22 UTC2019-11-26 02:57:26 UTCFDB0024306''-(4-Hydroxycinnamoyl)astragalinKaempferol 3-(6''-p-coumaroylgalactoside) is a member of the class of compounds known as flavonoid 3-o-p-coumaroyl glycosides. Flavonoid 3-o-p-coumaroyl glycosides are flavonoid 3-O-glycosides where the carbohydrate moiety is esterified with a p-coumaric acid. P-coumaric acid is an organic derivative of cinnamic acid, that carries a hydroxyl group at the 4-position of the benzene ring. Kaempferol 3-(6''-p-coumaroylgalactoside) is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Within the cell, kaempferol 3-(6''-p-coumaroylgalactoside) is primarily located in the membrane (predicted from logP).6''-(4-Hydroxycinnamoyl)astragalin6''-O-(4-Hydroxycinnamoyl)astragalinPotengriffioside aTilirosideTribulosideC30H26O13594.5196594.137340918(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate20316-62-5OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C1OInChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+DVGGLGXQSFURLP-XCVCLJGOSA-N belongs to the class of organic compounds known as flavonoid 3-o-p-coumaroyl glycosides. These are flavonoid 3-O-glycosides where the carbohydrate moiety is esterified with a p-coumaric acid. P-coumaric acid is an organic derivative of cinnamic acid, that carries a hydroxyl group at the 4-position of the benzene ring.Flavonoid 3-O-p-coumaroyl glycosidesOrganic compoundsPhenylpropanoids and polyketidesFlavonoidsFlavonoid glycosidesAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsAcetalsCarbonyl compoundsChromonesCinnamic acid estersCoumaric acid estersCoumaric acids and derivativesEnoate estersFatty acid estersFlavonesFlavonoid-3-O-glycosidesHeteroaromatic compoundsHydrocarbon derivativesMonocarboxylic acids and derivativesMonosaccharidesO-glycosyl compoundsOrganic oxidesOxacyclic compoundsOxanesPolyolsPyranones and derivativesSecondary alcoholsStyrenesVinylogous acids1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid4'-hydroxyflavonoid5-hydroxyflavonoid7-hydroxyflavonoidAcetalAlcoholAlpha,beta-unsaturated carboxylic esterAromatic heteropolycyclic compoundBenzenoidBenzopyranCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterChromoneCinnamic acid esterCinnamic acid or derivativesCoumaric acid esterCoumaric acid or derivativesEnoate esterFatty acid esterFatty acylFlavoneFlavonoid 3-o-6-p-coumaroyl-glycosideFlavonoid-3-o-glycosideGlycosyl compoundHeteroaromatic compoundHydrocarbon derivativeHydroxycinnamic acid or derivativesHydroxyflavonoidMonocarboxylic acid or derivativesMonocyclic benzene moietyMonosaccharideO-glycosyl compoundOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxanePhenolPolyolPyranPyranoneSecondary alcoholStyreneVinylogous acidlogp2.97logs-3.52solubility1.78e-01 g/lmelting_pointMp 269-271° (267-269°)logp2.89pka_strongest_acidic6.43pka_strongest_basic-3.6iupac(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoateaverage_mass594.5196mono_mass594.137340918smilesOC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C1OformulaC30H26O13inchiInChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+inchikeyDVGGLGXQSFURLP-XCVCLJGOSA-Npolar_surface_area212.67refractivity148.84polarizability57.63rotatable_bond_count8acceptor_count12donor_count7physiological_charge-1formal_charge0Specdb::MsMs50865Specdb::MsMs50866Specdb::MsMs50867Specdb::MsMs119145Specdb::MsMs119146Specdb::MsMs119147Specdb::MsMs2736221Specdb::MsMs2736222Specdb::MsMs2736223Specdb::MsMs2968803Specdb::MsMs2968804Specdb::MsMs2968805Specdb::CMs9661Specdb::CMs46906Specdb::CMs282993Specdb::CMs439630Specdb::CMs439631Specdb::CMs439632Specdb::CMs439633Specdb::CMs439634Specdb::CMs439635Specdb::CMs439636Specdb::CMs439637Specdb::CMs439638Specdb::CMs439639Specdb::CMs439640Specdb::CMs439641Specdb::CMs439642Specdb::CMs439643Specdb::CMs439644Specdb::CMs439645Specdb::CMs439646Specdb::CMs439647Specdb::CMs439648Specdb::CMs439649Specdb::CMs439650Specdb::CMs439651604269LindenType 1specificTilia64580Rose hipType 1specificRosa3764Silver lindenType 1specificTilia argenteaanti HIV333A substance that destroys or inhibits replication of viruses.diaphoretic879protisticide1266