1.02010-04-08 22:12:26 UTC2019-11-26 03:13:15 UTCFDB016444Catechin 6-C-glucosideIsolated from Rheum species (rhubarb). Catechin 6-C-glucoside is found in green vegetables.(+)-Catechin 6-C-glucoside6-C-Glucopyranosylcatechin6-Glucopyranosyl-(+)-catechin6-Glucosyl-(+)-catechinCatechin 6-C-glucosideC21H24O11452.4087452.131861612-(3,4-dihydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol2-(3,4-dihydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol105371-27-5OCC1OC(C(O)C(O)C1O)C1=C(O)C2=C(OC(C(O)C2)C2=CC(O)=C(O)C=C2)C=C1OInChI=1S/C21H24O11/c22-6-14-17(28)18(29)19(30)21(32-14)15-11(25)5-13-8(16(15)27)4-12(26)20(31-13)7-1-2-9(23)10(24)3-7/h1-3,5,12,14,17-30H,4,6H2PWMSPKVTJLJDDS-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid c-glycosides. Flavonoid C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone.Flavonoid C-glycosidesOrganic compoundsPhenylpropanoids and polyketidesFlavonoidsFlavonoid glycosidesAromatic heteropolycyclic compounds1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids3-hydroxyflavonoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsAlkyl aryl ethersBenzene and substituted derivativesC-glycosyl compoundsCatechinsCatecholsDialkyl ethersHexosesHydrocarbon derivativesOxacyclic compoundsOxanesPhenolic glycosidesPolyolsPrimary alcoholsSecondary alcohols1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoid3-hydroxyflavonoid4'-hydroxyflavonoid5-hydroxyflavonoid7-hydroxyflavonoidAlcoholAlkyl aryl etherAromatic heteropolycyclic compoundBenzenoidBenzopyranC-glycosyl compoundCatechinCatecholChromaneDialkyl etherEtherFlavanFlavan-3-olFlavonoid c-glycosideGlycosyl compoundHexose monosaccharideHydrocarbon derivativeHydroxyflavonoidMonocyclic benzene moietyMonosaccharideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxanePhenolPhenolic glycosidePolyolPrimary alcoholSecondary alcohollogp-0.64logs-2.08solubility3.77e+00 g/llogp-0.96pka_strongest_acidic8.78pka_strongest_basic-3.3iupac2-(3,4-dihydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triolaverage_mass452.4087mono_mass452.13186161smilesOCC1OC(C(O)C(O)C1O)C1=C(O)C2=C(OC(C(O)C2)C2=CC(O)=C(O)C=C2)C=C1OformulaC21H24O11inchiInChI=1S/C21H24O11/c22-6-14-17(28)18(29)19(30)21(32-14)15-11(25)5-13-8(16(15)27)4-12(26)20(31-13)7-1-2-9(23)10(24)3-7/h1-3,5,12,14,17-30H,4,6H2inchikeyPWMSPKVTJLJDDS-UHFFFAOYSA-Npolar_surface_area200.53refractivity107.12polarizability44.1rotatable_bond_count3acceptor_count11donor_count9physiological_charge0formal_charge0Specdb::MsMs12146Specdb::MsMs12147Specdb::MsMs12148Specdb::MsMs18818Specdb::MsMs18819Specdb::MsMs18820Specdb::MsMs2284639Specdb::MsMs2284640Specdb::MsMs2284641Specdb::MsMs3080439Specdb::MsMs3080440Specdb::MsMs3080441Specdb::NmrOneD140470Specdb::NmrOneD140471Specdb::NmrOneD140472Specdb::NmrOneD140473Specdb::NmrOneD140474Specdb::NmrOneD140475Specdb::NmrOneD140476Specdb::NmrOneD140477Specdb::NmrOneD140478Specdb::NmrOneD140479Specdb::NmrOneD140480Specdb::NmrOneD140481Specdb::NmrOneD140482Specdb::NmrOneD140483Specdb::NmrOneD140484Specdb::NmrOneD140485Specdb::NmrOneD140486Specdb::NmrOneD140487Specdb::NmrOneD140488Specdb::NmrOneD140489Specdb::CMs9371Specdb::CMs45368Specdb::CMs156564Specdb::CMs156566Specdb::CMs156568Specdb::CMs156570Specdb::CMs156572Specdb::CMs156574Specdb::CMs156576Specdb::CMs156577Specdb::CMs156579Specdb::CMs156581Specdb::CMs156583Specdb::CMs172011Specdb::CMs280119HMDB37400#<Reference:0x000055567555e440>Green vegetablesUnknowngeneric