1.0 2010-04-08 22:09:19 UTC 2025-11-18 23:22:18 UTC FDB010818 5-Megastigmen-7-yne-3,9-diol 9-glucoside Constituent of Riesling wine and Rose petals. 5-Megastigmen-7-yne-3,9-diol 9-glucoside is found in alcoholic beverages. 5-Megastigmen-7-yne-3,9-diol 9-glucoside 5-Megastigmen-7-yne-3,9-diol 9-O-b-D-glucopyranoside C19H30O7 370.4373 370.199153314 2-{[4-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-yn-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[4-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-yn-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 62512-26-9 CC(OC1OC(CO)C(O)C(O)C1O)C#CC1=C(C)CC(O)CC1(C)C InChI=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/h11-12,14-18,20-24H,7-9H2,1-4H3 NVFMDEVKKYQMLD-UHFFFAOYSA-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 Hexoses Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -0.28 ALOGPS logs -2.94 ALOGPS solubility 4.30e-01 g/l ALOGPS logp -0.17 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -1.2 ChemAxon iupac 2-{[4-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-yn-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 370.4373 ChemAxon mono_mass 370.199153314 ChemAxon smiles CC(OC1OC(CO)C(O)C(O)C1O)C#CC1=C(C)CC(O)CC1(C)C ChemAxon formula C19H30O7 ChemAxon inchi InChI=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/h11-12,14-18,20-24H,7-9H2,1-4H3 ChemAxon inchikey NVFMDEVKKYQMLD-UHFFFAOYSA-N ChemAxon polar_surface_area 119.61 ChemAxon refractivity 95.15 ChemAxon polarizability 39.77 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21359 Specdb::CMs 42987 Specdb::CMs 131053 Specdb::CMs 138787 Specdb::NmrOneD 115578 Specdb::NmrOneD 115579 Specdb::NmrOneD 115580 Specdb::NmrOneD 115581 Specdb::NmrOneD 115582 Specdb::NmrOneD 115583 Specdb::NmrOneD 115584 Specdb::NmrOneD 115585 Specdb::NmrOneD 115586 Specdb::NmrOneD 115587 Specdb::NmrOneD 115588 Specdb::NmrOneD 115589 Specdb::NmrOneD 115590 Specdb::NmrOneD 115591 Specdb::NmrOneD 115592 Specdb::NmrOneD 115593 Specdb::NmrOneD 115594 Specdb::NmrOneD 115595 Specdb::NmrOneD 115596 Specdb::NmrOneD 115597 Specdb::MsMs 96489 Specdb::MsMs 96490 Specdb::MsMs 96491 Specdb::MsMs 160974 Specdb::MsMs 160975 Specdb::MsMs 160976 Specdb::MsMs 2714128 Specdb::MsMs 2714129 Specdb::MsMs 2714130 Specdb::MsMs 2965221 Specdb::MsMs 2965222 Specdb::MsMs 2965223 HMDB32841 #<Reference:0x000055ce32f55068> Alcoholic beverages Unknown generic