1.0 2010-04-08 22:04:47 UTC 2019-11-26 02:55:43 UTC FDB000989 6-Epi-7-isocucurbic acid glucoside Constituent of Perilla frutescens (perilla). 6-Epi-7-isocucurbic acid glucoside is found in fats and oils and herbs and spices. 6-Epi-7-isocucurbic acid glucoside 6-Epi-7-isocucurbic acid O-b-D-glucopyranoside 6-Epi-7-isocucurbic acid O-b-D-glucoside 6-Epi-7-isocucurbic acid O-glucoside C18H30O8 374.426 374.194067936 2-{2-[(2E)-pent-2-en-1-yl]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclopentyl}acetic acid {2-[(2E)-pent-2-en-1-yl]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclopentyl}acetic acid 176486-13-8 CC\C=C\CC1C(CC(O)=O)CCC1OC1OC(CO)C(O)C(O)C1O InChI=1S/C18H30O8/c1-2-3-4-5-11-10(8-14(20)21)6-7-12(11)25-18-17(24)16(23)15(22)13(9-19)26-18/h3-4,10-13,15-19,22-24H,2,5-9H2,1H3,(H,20,21)/b4-3+ GJZJZRWFRZFTEE-ONEGZZNKSA-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 Carbonyl compounds Carboxylic acids Hexoses Hydrocarbon derivatives Jasmonic acids Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Jasmonic acid Monocarboxylic acid or derivatives Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp 0.12 ALOGPS logs -1.78 ALOGPS solubility 6.25e+00 g/l ALOGPS logp 0.26 ChemAxon pka_strongest_acidic 4.28 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{2-[(2E)-pent-2-en-1-yl]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclopentyl}acetic acid ChemAxon average_mass 374.426 ChemAxon mono_mass 374.194067936 ChemAxon smiles CC\C=C\CC1C(CC(O)=O)CCC1OC1OC(CO)C(O)C(O)C1O ChemAxon formula C18H30O8 ChemAxon inchi InChI=1S/C18H30O8/c1-2-3-4-5-11-10(8-14(20)21)6-7-12(11)25-18-17(24)16(23)15(22)13(9-19)26-18/h3-4,10-13,15-19,22-24H,2,5-9H2,1H3,(H,20,21)/b4-3+ ChemAxon inchikey GJZJZRWFRZFTEE-ONEGZZNKSA-N ChemAxon polar_surface_area 136.68 ChemAxon refractivity 91.9 ChemAxon polarizability 38.65 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14819 Specdb::CMs 41545 Specdb::CMs 168724 Specdb::MsMs 83079 Specdb::MsMs 83080 Specdb::MsMs 83081 Specdb::MsMs 144597 Specdb::MsMs 144598 Specdb::MsMs 144599 Specdb::MsMs 2352313 Specdb::MsMs 2352314 Specdb::MsMs 2352315 Specdb::MsMs 2583449 Specdb::MsMs 2583450 Specdb::MsMs 2583451 Specdb::NmrOneD 16222 Specdb::NmrOneD 16223 Specdb::NmrOneD 16224 Specdb::NmrOneD 16225 Specdb::NmrOneD 16226 Specdb::NmrOneD 16227 Specdb::NmrOneD 16228 Specdb::NmrOneD 16229 Specdb::NmrOneD 16230 Specdb::NmrOneD 16231 Specdb::NmrOneD 16232 Specdb::NmrOneD 16233 Specdb::NmrOneD 16234 Specdb::NmrOneD 16235 Specdb::NmrOneD 16236 Specdb::NmrOneD 16237 Specdb::NmrOneD 16238 Specdb::NmrOneD 16239 Specdb::NmrOneD 16240 Specdb::NmrOneD 16241 HMDB29782 #<Reference:0x000055ce32adafb0> Fats and oils Unknown generic Herbs and Spices Unknown generic