1.02010-04-08 22:12:32 UTC2019-11-26 03:13:31 UTCFDB016619Quercetin 3-glucosyl-(1->2)-galactosideIsolated from pollen of Corylus avellana (filbert). Quercetin 3-glucosyl-(1->2)-galactoside is found in common hazelnut and nuts.Quercetin 3-glucosyl-(1->2)-galactosideC27H30O17626.5169626.1482995343-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one95043-15-5OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1OInChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2RDUAJIJVNHKTQC-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.Flavonoid-3-O-glycosidesOrganic compoundsPhenylpropanoids and polyketidesFlavonoidsFlavonoid glycosidesAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsAcetalsBenzene and substituted derivativesCatecholsChromonesDisaccharidesFlavonesHeteroaromatic compoundsHydrocarbon derivativesO-glycosyl compoundsOrganic oxidesOxacyclic compoundsOxanesPolyolsPrimary alcoholsPyranones and derivativesSecondary alcoholsVinylogous acids1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoid4'-hydroxyflavonoid5-hydroxyflavonoid7-hydroxyflavonoidAcetalAlcoholAromatic heteropolycyclic compoundBenzenoidBenzopyranCatecholChromoneDisaccharideFlavoneFlavonoid-3-o-glycosideGlycosyl compoundHeteroaromatic compoundHydrocarbon derivativeHydroxyflavonoidMonocyclic benzene moietyO-glycosyl compoundOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxanePhenolPolyolPrimary alcoholPyranPyranoneSecondary alcoholVinylogous acidlogp-0.50logs-1.93solubility7.32e+00 g/llogp-1.9pka_strongest_acidic6.43pka_strongest_basic-3.6iupac3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-oneaverage_mass626.5169mono_mass626.148299534smilesOCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1OformulaC27H30O17inchiInChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2inchikeyRDUAJIJVNHKTQC-UHFFFAOYSA-Npolar_surface_area285.75refractivity141.69polarizability58.61rotatable_bond_count7acceptor_count17donor_count11physiological_charge-1formal_charge0Specdb::CMs20322Specdb::CMs45448Specdb::CMs567281Specdb::CMs567282Specdb::CMs567283Specdb::CMs567284Specdb::CMs567285Specdb::CMs567286Specdb::CMs567287Specdb::CMs567288Specdb::CMs567289Specdb::CMs567290Specdb::CMs567291Specdb::CMs567292Specdb::CMs567293Specdb::CMs567294Specdb::CMs567295Specdb::CMs567296Specdb::CMs567297Specdb::CMs567298Specdb::CMs567299Specdb::CMs567300Specdb::CMs567301Specdb::CMs567302Specdb::CMs567303Specdb::NmrOneD141530Specdb::NmrOneD141531Specdb::NmrOneD141532Specdb::NmrOneD141533Specdb::NmrOneD141534Specdb::NmrOneD141535Specdb::NmrOneD141536Specdb::NmrOneD141537Specdb::NmrOneD141538Specdb::NmrOneD141539Specdb::NmrOneD141540Specdb::NmrOneD141541Specdb::NmrOneD141542Specdb::NmrOneD141543Specdb::NmrOneD141544Specdb::NmrOneD141545Specdb::NmrOneD141546Specdb::NmrOneD141547Specdb::NmrOneD141548Specdb::NmrOneD141549Specdb::MsMs8537Specdb::MsMs8538Specdb::MsMs8539Specdb::MsMs12128Specdb::MsMs12129Specdb::MsMs12130Specdb::MsMs15209Specdb::MsMs15210Specdb::MsMs15211Specdb::MsMs18800Specdb::MsMs18801Specdb::MsMs18802Specdb::MsMs2410741Specdb::MsMs2410742Specdb::MsMs2410743Specdb::MsMs2554852Specdb::MsMs2554853Specdb::MsMs2554854HMDB37537#<Reference:0x000055567602c368>Common hazelnutType 1specificCorylus avellana13451NutsUnknowngeneric