1.0 2010-04-08 22:13:32 UTC 2025-11-19 02:09:34 UTC FDB018149 Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside] Isolated from Cape gooseberry (Physalis peruviana). Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside] is found in fruits. Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside] Ethyl x-3-hydroxyoctanoate O-[b-D-glucopyranosyl-(1->6)-b-D-glucopyranoside] Ethyl xi-3-hydroxyoctanoate O-[b-D-glucopyranosyl-(1->6)-b-D-glucopyranoside] Ethyl xi-3-hydroxyoctanoate O-[b-D-glucosyl-(1->6)-b-D-glucoside] Ethyl xi-3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside] C22H40O13 512.5452 512.246891366 ethyl 3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}octanoate ethyl 3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}octanoate 617-45-8 CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C22H40O13/c1-3-5-6-7-11(8-14(24)31-4-2)33-22-20(30)18(28)16(26)13(35-22)10-32-21-19(29)17(27)15(25)12(9-23)34-21/h11-13,15-23,25-30H,3-10H2,1-2H3 QAIPLYVRKVVKMO-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 Carbonyl compounds Carboxylic acid esters Disaccharides Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Carbonyl group Carboxylic acid derivative Carboxylic acid ester Disaccharide Fatty acid ester Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hydrocarbon derivative Monocarboxylic acid or derivatives O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -0.80 ALOGPS logs -1.50 ALOGPS solubility 1.60e+01 g/l ALOGPS logp -1.6 ChemAxon pka_strongest_acidic 11.91 ChemAxon pka_strongest_basic -3 ChemAxon iupac ethyl 3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}octanoate ChemAxon average_mass 512.5452 ChemAxon mono_mass 512.246891366 ChemAxon smiles CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C22H40O13 ChemAxon inchi InChI=1S/C22H40O13/c1-3-5-6-7-11(8-14(24)31-4-2)33-22-20(30)18(28)16(26)13(35-22)10-32-21-19(29)17(27)15(25)12(9-23)34-21/h11-13,15-23,25-30H,3-10H2,1-2H3 ChemAxon inchikey QAIPLYVRKVVKMO-UHFFFAOYSA-N ChemAxon polar_surface_area 204.83 ChemAxon refractivity 116.14 ChemAxon polarizability 52.57 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 12 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10504 Specdb::CMs 46020 Specdb::MsMs 95919 Specdb::MsMs 95920 Specdb::MsMs 95921 Specdb::MsMs 160293 Specdb::MsMs 160294 Specdb::MsMs 160295 Specdb::MsMs 2299587 Specdb::MsMs 2299588 Specdb::MsMs 2299589 Specdb::MsMs 2638534 Specdb::MsMs 2638535 Specdb::MsMs 2638536 Specdb::NmrOneD 28942 Specdb::NmrOneD 28943 Specdb::NmrOneD 28944 Specdb::NmrOneD 28945 Specdb::NmrOneD 28946 Specdb::NmrOneD 28947 Specdb::NmrOneD 28948 Specdb::NmrOneD 28949 Specdb::NmrOneD 28950 Specdb::NmrOneD 28951 Specdb::NmrOneD 28952 Specdb::NmrOneD 28953 Specdb::NmrOneD 28954 Specdb::NmrOneD 28955 Specdb::NmrOneD 28956 Specdb::NmrOneD 28957 Specdb::NmrOneD 28958 Specdb::NmrOneD 28959 Specdb::NmrOneD 28960 Specdb::NmrOneD 28961 HMDB38738 #<Reference:0x000055ce2ecd3848> Fruits Unknown generic