1.0 2010-04-08 22:15:21 UTC 2019-11-26 03:19:37 UTC FDB020917 5,7-Megastigmadien-9-ol glucoside Constituent of Passiflora edulis (passion fruit). 5,7-Megastigmadien-9-ol glucoside is found in fruits. (7E,9x)-5,7-Megastigmadien-9-ol O-b-D-glucopyranoside (7E,9xi)-5,7-Megastigmadien-9-ol glucoside (7E,9xi)-5,7-Megastigmadien-9-ol O-b-D-glucopyranoside (7E,9xi)-5,7-Megastigmadien-9-ol O-b-D-glucoside 5,7-Megastigmadien-9-ol glucoside 5,7E-Megastigmadien-9x-ol glucoside C19H32O6 356.4538 356.219888756 2-(hydroxymethyl)-6-{[(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl]oxy}oxane-3,4,5-triol 2-(hydroxymethyl)-6-{[(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl]oxy}oxane-3,4,5-triol 146610-77-7 CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1=C(C)CCCC1(C)C InChI=1S/C19H32O6/c1-11-6-5-9-19(3,4)13(11)8-7-12(2)24-18-17(23)16(22)15(21)14(10-20)25-18/h7-8,12,14-18,20-23H,5-6,9-10H2,1-4H3/b8-7+ JGUNLOSHGIQYCT-BQYQJAHWSA-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 Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Sesquiterpenoids Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Cyclofarsesane sesquiterpenoid Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hydrocarbon derivative Ionone derivative Megastigmane sesquiterpenoid Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Sesquiterpenoid logp 1.35 ALOGPS logs -2.34 ALOGPS solubility 1.65e+00 g/l ALOGPS logp 1.27 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(hydroxymethyl)-6-{[(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl]oxy}oxane-3,4,5-triol ChemAxon average_mass 356.4538 ChemAxon mono_mass 356.219888756 ChemAxon smiles CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1=C(C)CCCC1(C)C ChemAxon formula C19H32O6 ChemAxon inchi InChI=1S/C19H32O6/c1-11-6-5-9-19(3,4)13(11)8-7-12(2)24-18-17(23)16(22)15(21)14(10-20)25-18/h7-8,12,14-18,20-23H,5-6,9-10H2,1-4H3/b8-7+ ChemAxon inchikey JGUNLOSHGIQYCT-BQYQJAHWSA-N ChemAxon polar_surface_area 99.38 ChemAxon refractivity 95.24 ChemAxon polarizability 39.68 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 293662 Specdb::MsMs 293663 Specdb::MsMs 293664 Specdb::MsMs 334177 Specdb::MsMs 334178 Specdb::MsMs 334179 Specdb::MsMs 2318321 Specdb::MsMs 2318322 Specdb::MsMs 2318323 Specdb::MsMs 2617046 Specdb::MsMs 2617047 Specdb::MsMs 2617048 Specdb::CMs 12563 Specdb::CMs 47081 Specdb::CMs 135011 Specdb::CMs 142745 HMDB41044 #<Reference:0x00007f093c1a4db0> Fruits Unknown generic