1.02010-04-08 22:04:33 UTC2019-11-26 02:54:46 UTCFDB000414Neryl arabinofuranosyl-glucosideIsolated from wine grapes (Vitis vinifera). Neryl arabinofuranosyl-glucoside is found in alcoholic beverages, fruits, and common grape.(2Z)-3,7-Dimethyl-2,6-octadien-1-ol O-[a-L-arabinofuranosyl-(1->6)-b-D-glucopyranoside]Neryl arabinofuranosyl-glucosideNeryl O-[a-L-arabinofuranosyl-(1->6)-b-D-glucopyranoside]C21H36O10448.5045448.2308473722-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}oxane-3,4,5-triol2-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}oxane-3,4,5-triol84534-32-7CC(C)=CCC\C(C)=C/COC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1OInChI=1S/C21H36O10/c1-11(2)5-4-6-12(3)7-8-28-20-19(27)17(25)16(24)14(31-20)10-29-21-18(26)15(23)13(9-22)30-21/h5,7,13-27H,4,6,8-10H2,1-3H3/b12-7-AWDKYYYAAQQLEF-GHXNOFRVSA-N belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone.Terpene glycosidesOrganic compoundsLipids and lipid-like moleculesPrenol lipidsTerpene glycosidesAliphatic heteromonocyclic compoundsAcetalsAlkyl glycosidesDisaccharidesFatty acyl glycosides of mono- and disaccharidesHydrocarbon derivativesMonocyclic monoterpenoidsO-glycosyl compoundsOxacyclic compoundsOxanesPolyolsPrimary alcoholsSecondary alcoholsTetrahydrofuransAcetalAlcoholAliphatic heteromonocyclic compoundAlkyl glycosideDisaccharideFatty acylFatty acyl glycosideFatty acyl glycoside of mono- or disaccharideGlycosyl compoundHydrocarbon derivativeMonocyclic monoterpenoidMonoterpenoidO-glycosyl compoundOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxanePolyolPrimary alcoholSecondary alcoholTerpene glycosideTetrahydrofuranlogp-0.24logs-2.13solubility3.32e+00 g/llogp-0.41pka_strongest_acidic11.94pka_strongest_basic-3iupac2-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}oxane-3,4,5-triolaverage_mass448.5045mono_mass448.230847372smilesCC(C)=CCC\C(C)=C/COC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1OformulaC21H36O10inchiInChI=1S/C21H36O10/c1-11(2)5-4-6-12(3)7-8-28-20-19(27)17(25)16(24)14(31-20)10-29-21-18(26)15(23)13(9-22)30-21/h5,7,13-27H,4,6,8-10H2,1-3H3/b12-7-inchikeyAWDKYYYAAQQLEF-GHXNOFRVSA-Npolar_surface_area158.3refractivity110.05polarizability47.8rotatable_bond_count10acceptor_count10donor_count6physiological_charge0formal_charge0Specdb::CMs9576Specdb::CMs41294Specdb::CMs133945Specdb::CMs141679Specdb::NmrOneD157650Specdb::NmrOneD157651Specdb::NmrOneD157652Specdb::NmrOneD157653Specdb::NmrOneD157654Specdb::NmrOneD157655Specdb::NmrOneD157656Specdb::NmrOneD157657Specdb::NmrOneD157658Specdb::NmrOneD157659Specdb::NmrOneD157660Specdb::NmrOneD157661Specdb::NmrOneD157662Specdb::NmrOneD157663Specdb::NmrOneD157664Specdb::NmrOneD157665Specdb::NmrOneD157666Specdb::NmrOneD157667Specdb::NmrOneD157668Specdb::NmrOneD157669Specdb::MsMs56382Specdb::MsMs56383Specdb::MsMs56384Specdb::MsMs111780Specdb::MsMs111781Specdb::MsMs111782Specdb::MsMs2721315Specdb::MsMs2721316Specdb::MsMs2721317Specdb::MsMs2960463Specdb::MsMs2960464Specdb::MsMs2960465HMDB29348#<Reference:0x00005556751cc7a0>Alcoholic beveragesUnknowngenericCommon grapeType 1specificVitis vinifera29760FruitsUnknowngeneric