1.02010-04-08 22:07:22 UTC2019-11-26 03:01:22 UTCFDB006934HispidulosideHispiduloside 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. Hispiduloside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Hispiduloside can be found in rosemary and sweet marjoram, which makes hispiduloside a potential biomarker for the consumption of these food products. C22H22O11462.4035462.1162115465-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-oneCOC1=C(O)C2=C(OC(=CC2=O)C2=CC=C(O)C=C2)C=C1OC1OC(CO)C(O)C(O)C1OInChI=1S/C22H22O11/c1-30-21-14(32-22-20(29)19(28)17(26)15(8-23)33-22)7-13-16(18(21)27)11(25)6-12(31-13)9-2-4-10(24)5-3-9/h2-7,15,17,19-20,22-24,26-29H,8H2,1H3GCLAFEGUXXHIFT-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 benzenoids1-hydroxy-4-unsubstituted benzenoids4'-hydroxyflavonoids5-hydroxyflavonoids6-O-methylated flavonoidsAcetalsAlkyl aryl ethersAnisolesBenzene and substituted derivativesChromonesFlavonesHeteroaromatic compoundsHexosesHydrocarbon derivativesO-glycosyl compoundsOrganic oxidesOxacyclic compoundsOxanesPhenolic glycosidesPolyolsPrimary alcoholsPyranones and derivativesSecondary alcoholsVinylogous acids1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid4'-hydroxyflavonoid5-hydroxyflavonoid6-methoxyflavonoid-skeletonAcetalAlcoholAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundBenzenoidBenzopyranChromoneEtherFlavoneFlavonoid-7-o-glycosideGlycosyl compoundHeteroaromatic compoundHexose monosaccharideHydrocarbon derivativeHydroxyflavonoidMonocyclic benzene moietyMonosaccharideO-glycosyl compoundOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxanePhenolPhenolic glycosidePolyolPrimary alcoholPyranPyranoneSecondary alcoholVinylogous acidlogp0.61logs-2.71solubility9.03e-01 g/llogp0.28pka_strongest_acidic8.57pka_strongest_basic-3iupac5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneaverage_mass462.4035mono_mass462.116211546smilesCOC1=C(O)C2=C(OC(=CC2=O)C2=CC=C(O)C=C2)C=C1OC1OC(CO)C(O)C(O)C1OformulaC22H22O11inchiInChI=1S/C22H22O11/c1-30-21-14(32-22-20(29)19(28)17(26)15(8-23)33-22)7-13-16(18(21)27)11(25)6-12(31-13)9-2-4-10(24)5-3-9/h2-7,15,17,19-20,22-24,26-29H,8H2,1H3inchikeyGCLAFEGUXXHIFT-UHFFFAOYSA-Npolar_surface_area175.37refractivity111.52polarizability45.22rotatable_bond_count5acceptor_count11donor_count6physiological_charge0formal_charge0Specdb::MsMs91380Specdb::MsMs91381Specdb::MsMs91382Specdb::MsMs154755Specdb::MsMs154756Specdb::MsMs154757Specdb::MsMs3603470Specdb::MsMs3603471Specdb::MsMs3603472Specdb::MsMs3603473Specdb::MsMs3603474Specdb::MsMs3603475RosemaryType 1specificRosmarinus officinalis39367Sweet marjoramType 1specificOriganum majorana268884aldose reductase inhibitor40An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of aldehyde reductase (EC 1.1.1.21).anti cataract168Any substance introduced into a living organism with therapeutic or diagnostic purpose.