1.0 2010-04-08 22:15:04 UTC 2019-11-26 03:19:01 UTC FDB020503 9-Hydroxy-7-megastigmen-3-one glucoside Isolated from wine grape Vitis vinifera Riesling leaves as a major vine leaf constituent Potential precursor of quince aroma volatiles (megastigma-6,8-dien-3-ones). 9-Hydroxy-7-megastigmen-3-one glucoside is found in alcoholic beverages and fruits. 4,5-Dihydro-3-oxo-alpha-ionone glucoside 9-Hydroxy-7-megastigmen-3-one glucoside 9-Hydroxy-7-megastigmen-3-one O-b-D-glucopyranoside 9-Hydroxy-7-megastigmen-3-one O-b-D-glucoside C19H32O7 372.4532 372.214803378 3,3,5-trimethyl-4-[(1E)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohexan-1-one 3,3,5-trimethyl-4-[(1E)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohexan-1-one 109-04-6 CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1C(C)CC(=O)CC1(C)C InChI=1S/C19H32O7/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/h5-6,10-11,13-18,20,22-24H,7-9H2,1-4H3/b6-5+ NLPBBNGDXNHAJP-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 disaccharides Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Aliphatic heteromonocyclic compounds Acetals Alkyl glycosides Cyclic ketones Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Sesquiterpenoids Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Carbonyl group Cyclic ketone Cyclofarsesane sesquiterpenoid Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Ionone derivative Ketone Megastigmane sesquiterpenoid Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Sesquiterpenoid logp 0.28 ALOGPS logs -2.11 ALOGPS solubility 2.92e+00 g/l ALOGPS logp 0.54 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3,3,5-trimethyl-4-[(1E)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohexan-1-one ChemAxon average_mass 372.4532 ChemAxon mono_mass 372.214803378 ChemAxon smiles CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1C(C)CC(=O)CC1(C)C ChemAxon formula C19H32O7 ChemAxon inchi InChI=1S/C19H32O7/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/h5-6,10-11,13-18,20,22-24H,7-9H2,1-4H3/b6-5+ ChemAxon inchikey NLPBBNGDXNHAJP-AATRIKPKSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 95.29 ChemAxon polarizability 40.2 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14322 Specdb::CMs 46915 Specdb::CMs 153928 Specdb::MsMs 297610 Specdb::MsMs 297611 Specdb::MsMs 297612 Specdb::MsMs 339181 Specdb::MsMs 339182 Specdb::MsMs 339183 Specdb::MsMs 2475320 Specdb::MsMs 2475321 Specdb::MsMs 2475322 Specdb::MsMs 2491028 Specdb::MsMs 2491029 Specdb::MsMs 2491030 HMDB40701 #<Reference:0x000055ce31cebb48> Alcoholic beverages Unknown generic Fruits Unknown generic