1.02010-04-08 22:05:24 UTC2019-11-26 02:57:32 UTCFDB002502Vitexin 7-glucosideVitexin 7-glucoside is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Vitexin 7-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Vitexin 7-glucoside can be found in barley and fenugreek, which makes vitexin 7-glucoside a potential biomarker for the consumption of these food products.Afroside?Vitexin 7-glucosideVitexin 7-O-glucosideC27H30O15594.5181594.158470295-hydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one5-hydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one35109-95-6OCC1OC(OC2=C(C3OC(CO)C(O)C(O)C3O)C3=C(C(O)=C2)C(=O)C=C(O3)C2=CC=C(O)C=C2)C(O)C(O)C1OInChI=1S/C27H30O15/c28-7-15-19(33)21(35)23(37)26(40-15)18-14(41-27-24(38)22(36)20(34)16(8-29)42-27)6-12(32)17-11(31)5-13(39-25(17)18)9-1-3-10(30)4-2-9/h1-6,15-16,19-24,26-30,32-38H,7-8H2HHRPSKAYQPDDGQ-UHFFFAOYSA-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-glycosidesOrganic compoundsPhenylpropanoids and polyketidesFlavonoidsFlavonoid glycosidesAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoids4'-hydroxyflavonoids5-hydroxyflavonoidsAcetalsBenzene and substituted derivativesC-glycosyl compoundsChromonesDialkyl ethersFlavonesFlavonoid 8-C-glycosidesHeteroaromatic compoundsHydrocarbon derivativesMonosaccharidesO-glycosyl compoundsOrganic oxidesOxacyclic compoundsOxanesPhenolic glycosidesPolyolsPrimary alcoholsPyranones and derivativesSecondary alcoholsVinylogous acids1-benzopyran1-hydroxy-2-unsubstituted benzenoid4'-hydroxyflavonoid5-hydroxyflavonoidAcetalAlcoholAromatic heteropolycyclic compoundBenzenoidBenzopyranC-glycosyl compoundChromoneDialkyl etherEtherFlavoneFlavonoid c-glycosideFlavonoid-7-o-glycosideFlavonoid-8-c-glycosideGlycosyl compoundHeteroaromatic compoundHydrocarbon derivativeHydroxyflavonoidMonocyclic benzene moietyMonosaccharideO-glycosyl compoundOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxanePhenolPhenolic glycosidePolyolPrimary alcoholPyranPyranoneSecondary alcoholVinylogous acidlogp-0.85logs-1.99solubility6.11e+00 g/lmelting_pointMp 242-243°logp-2.3pka_strongest_acidic7.24pka_strongest_basic-3.6iupac5-hydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneaverage_mass594.5181mono_mass594.15847029smilesOCC1OC(OC2=C(C3OC(CO)C(O)C(O)C3O)C3=C(C(O)=C2)C(=O)C=C(O3)C2=CC=C(O)C=C2)C(O)C(O)C1OformulaC27H30O15inchiInChI=1S/C27H30O15/c28-7-15-19(33)21(35)23(37)26(40-15)18-14(41-27-24(38)22(36)20(34)16(8-29)42-27)6-12(32)17-11(31)5-13(39-25(17)18)9-1-3-10(30)4-2-9/h1-6,15-16,19-24,26-30,32-38H,7-8H2inchikeyHHRPSKAYQPDDGQ-UHFFFAOYSA-Npolar_surface_area256.29refractivity138.18polarizability57.2rotatable_bond_count6acceptor_count15donor_count10physiological_charge0formal_charge0Specdb::MsMs90813Specdb::MsMs90814Specdb::MsMs90815Specdb::MsMs154065Specdb::MsMs154066Specdb::MsMs154067BarleyType 1specificHordeum vulgare4513FenugreekType 1specificTrigonella foenum-graecum78534