1.02010-04-08 22:12:02 UTC2019-11-26 03:12:11 UTCFDB0157703-Oxo-alpha-ionol 9-glucosideIsolated from raspberry (Rubus idaeus) and the leaves of Dalmatian sage (Salvia officinalis). 3-Oxo-alpha-ionol 9-glucoside is found in herbs and spices, fruits, and red raspberry.(3S,7E,9R)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside(3S,7E,9R)-9-Hydroxy-4,7-megastigmadien-3-one 9-O-b-D-glucopyranoside(3S,7E,9R)-9-Hydroxy-4,7-megastigmadien-3-one 9-O-b-D-glucoside3-Oxo-alpha-ionol 9-glucoside3-Oxo-alpha-ionol 9-O-b-D-glucopyranoside3-Oxo-alpha-ionol 9-O-b-D-glucosideC19H30O7370.4373370.1991533143,5,5-trimethyl-4-[(1E)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-one3,5,5-trimethyl-4-[(1E)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-one109-04-6CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1C(C)=CC(=O)CC1(C)CInChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+SZOPSAFLRCYJCX-AATRIKPKSA-N belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.Fatty acyl glycosides of mono- and disaccharidesOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty acyl glycosidesAliphatic heteromonocyclic compoundsAcetalsAlkyl glycosidesCyclohexenonesHexosesHydrocarbon derivativesO-glycosyl compoundsOrganic oxidesOxacyclic compoundsOxanesPolyolsPrimary alcoholsSecondary alcoholsSesquiterpenoidsAcetalAlcoholAliphatic heteromonocyclic compoundAlkyl glycosideCarbonyl groupCyclic ketoneCyclofarsesane sesquiterpenoidCyclohexenoneFatty acyl glycoside of mono- or disaccharideGlycosyl compoundHexose monosaccharideHydrocarbon derivativeIonone derivativeKetoneMegastigmane sesquiterpenoidMonosaccharideO-glycosyl compoundOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxanePolyolPrimary alcoholSecondary alcoholSesquiterpenoidlogp0.36logs-2.13solubility2.76e+00 g/llogp0.5pka_strongest_acidic12.21pka_strongest_basic-3iupac3,5,5-trimethyl-4-[(1E)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-oneaverage_mass370.4373mono_mass370.199153314smilesCC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1C(C)=CC(=O)CC1(C)CformulaC19H30O7inchiInChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+inchikeySZOPSAFLRCYJCX-AATRIKPKSA-Npolar_surface_area116.45refractivity96.12polarizability39.43rotatable_bond_count5acceptor_count7donor_count4physiological_charge0formal_charge0Specdb::CMs13344Specdb::CMs45056Specdb::CMs137853Specdb::CMs145587Specdb::MsMs87612Specdb::MsMs87613Specdb::MsMs87614Specdb::MsMs150141Specdb::MsMs150142Specdb::MsMs150143Specdb::MsMs2441668Specdb::MsMs2441669Specdb::MsMs2441670Specdb::MsMs2524923Specdb::MsMs2524924Specdb::MsMs2524925FruitsUnknowngenericHerbs and SpicesUnknowngenericRed raspberryType 1specificRubus idaeus32247