1.02011-09-14 17:16:00 UTC2019-11-26 03:21:00 UTCFDB021866Cyanidin 3-gentiobiosideIsolated from leaves of Solidago virgaurea [CCD]. Cyanidin 3-gentiobioside is found in sour cherry.Cyanidin 3-gentiobiosideCyanidin 3-O-gentiobiosideC27H31O16611.528611.1606613382-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium102636-82-8OCC1OC(OCC2OC(OC3=C([O+]=C4C=C(O)C=C(O)C4=C3)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1OInChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)39-8-18-20(34)22(36)24(38)27(43-18)41-16-6-11-13(31)4-10(29)5-15(11)40-25(16)9-1-2-12(30)14(32)3-9/h1-6,17-24,26-28,33-38H,7-8H2,(H3-,29,30,31,32)/p+1SOSQBIZNYUDNPG-UHFFFAOYSA-O belongs to the class of organic compounds known as anthocyanidin-3-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position.Anthocyanidin-3-O-glycosidesOrganic compoundsPhenylpropanoids and polyketidesFlavonoidsFlavonoid glycosidesAromatic heteropolycyclic compounds1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsAcetalsAnthocyanidinsBenzene and substituted derivativesCatecholsDisaccharidesFlavonoid-3-O-glycosidesHeteroaromatic compoundsHydrocarbon derivativesO-glycosyl compoundsOrganic cationsOxacyclic compoundsOxanesPolyolsPrimary alcoholsSecondary alcohols1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoid4'-hydroxyflavonoid5-hydroxyflavonoid7-hydroxyflavonoidAcetalAlcoholAnthocyanidinAnthocyanidin-3-o-glycosideAromatic heteropolycyclic compoundBenzenoidBenzopyranCatecholDisaccharideFlavonoid-3-o-glycosideGlycosyl compoundHeteroaromatic compoundHydrocarbon derivativeHydroxyflavonoidMonocyclic benzene moietyO-glycosyl compoundOrganic cationOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxanePhenolPolyolPrimary alcoholSecondary alcohollogp-0.16logs-2.67solubility1.39e+00 g/llogp-1.7pka_strongest_acidic6.39pka_strongest_basic-3.7iupac2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1lambda4-chromen-1-yliumaverage_mass611.528mono_mass611.160661338smilesOCC1OC(OCC2OC(OC3=C([O+]=C4C=C(O)C=C(O)C4=C3)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1OformulaC27H31O16inchiInChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)39-8-18-20(34)22(36)24(38)27(43-18)41-16-6-11-13(31)4-10(29)5-15(11)40-25(16)9-1-2-12(30)14(32)3-9/h1-6,17-24,26-28,33-38H,7-8H2,(H3-,29,30,31,32)/p+1inchikeySOSQBIZNYUDNPG-UHFFFAOYSA-Opolar_surface_area272.59refractivity148.67polarizability58.21rotatable_bond_count7acceptor_count16donor_count11physiological_charge0formal_charge1Specdb::MsMs292768Specdb::MsMs292769Specdb::MsMs292770Specdb::CMs12168Specdb::CMs47421HMDB41637Sour cherryType 1specificPrunus cerasus140311