1.0 2010-04-08 22:10:43 UTC 2019-11-26 03:08:26 UTC FDB013447 Ethyl 2-hydroxy-3-(3-indolyl)propanoate glucoside Isolated from grapes (Reisling wine). Ethyl 2-hydroxy-3-(3-indolyl)propanoate glucoside is found in alcoholic beverages. Ethyl (x)-2-hydroxy-3-(3-indolyl)propanoate O-b-D-glucopyranoside Ethyl 2-hydroxy-3-(3-indolyl)propanoate glucoside N,N-Dimethyl-n'-(2-(4-morpholinyl)ethyl)imidoformamide C19H25NO8 395.4037 395.158016781 ethyl 3-(1H-indol-3-yl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propanoate ethyl 3-(1H-indol-3-yl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propanoate 143884-93-9 CCOC(=O)C(CC1=CNC2=CC=CC=C12)OC1OC(CO)C(O)C(O)C1O InChI=1S/C19H25NO8/c1-2-26-18(25)13(7-10-8-20-12-6-4-3-5-11(10)12)27-19-17(24)16(23)15(22)14(9-21)28-19/h3-6,8,13-17,19-24H,2,7,9H2,1H3 GWMMTXPUFREJAY-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 Aromatic heteropolycyclic compounds 3-alkylindoles Acetals Azacyclic compounds Benzenoids Carbonyl compounds Carboxylic acid esters Fatty acid esters Heteroaromatic compounds Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Substituted pyrroles Sugar acids and derivatives 3-alkylindole Acetal Alcohol Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Indole Indole or derivatives Monocarboxylic acid or derivatives Monosaccharide O-glycosyl compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Pyrrole Secondary alcohol Substituted pyrrole Sugar acid logp 0.56 ALOGPS logs -2.00 ALOGPS solubility 3.93e+00 g/l ALOGPS logp 0.015 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac ethyl 3-(1H-indol-3-yl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propanoate ChemAxon average_mass 395.4037 ChemAxon mono_mass 395.158016781 ChemAxon smiles CCOC(=O)C(CC1=CNC2=CC=CC=C12)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C19H25NO8 ChemAxon inchi InChI=1S/C19H25NO8/c1-2-26-18(25)13(7-10-8-20-12-6-4-3-5-11(10)12)27-19-17(24)16(23)15(22)14(9-21)28-19/h3-6,8,13-17,19-24H,2,7,9H2,1H3 ChemAxon inchikey GWMMTXPUFREJAY-UHFFFAOYSA-N ChemAxon polar_surface_area 141.47 ChemAxon refractivity 96.48 ChemAxon polarizability 39.84 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11247 Specdb::CMs 44066 Specdb::CMs 151868 Specdb::MsMs 56397 Specdb::MsMs 56398 Specdb::MsMs 56399 Specdb::MsMs 111798 Specdb::MsMs 111799 Specdb::MsMs 111800 Specdb::MsMs 2263015 Specdb::MsMs 2263016 Specdb::MsMs 2263017 Specdb::MsMs 3078621 Specdb::MsMs 3078622 Specdb::MsMs 3078623 HMDB34873 #<Reference:0x000055ce321f1ea8> Alcoholic beverages Unknown generic