1.0 2010-04-08 22:09:23 UTC 2025-11-18 23:23:16 UTC FDB010944 (S)-3-Octanol glucoside Constituent of spearmint (Mentha spicata variety crispa). (S)-3-Octanol glucoside is found in herbs and spices. (S)-3-Octanol glucoside (S)-3-Octanol O-b-D-glucopyranoside (S)-Octan-3-ol glucoside (S)-Octanol 3-glucoside (S)-Octanol 3-O-b-D-glucopyranoside (S)-Octanol 3-O-b-D-glucoside C14H28O6 292.3685 292.188588628 2-(hydroxymethyl)-6-(octan-3-yloxy)oxane-3,4,5-triol 2-(hydroxymethyl)-6-(octan-3-yloxy)oxane-3,4,5-triol 129742-31-0 CCCCCC(CC)OC1OC(CO)C(O)C(O)C1O InChI=1S/C14H28O6/c1-3-5-6-7-9(4-2)19-14-13(18)12(17)11(16)10(8-15)20-14/h9-18H,3-8H2,1-2H3 UZTJHMFXKSHSMS-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 1.10 ALOGPS logs -1.07 ALOGPS solubility 2.48e+01 g/l ALOGPS logp 0.86 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(hydroxymethyl)-6-(octan-3-yloxy)oxane-3,4,5-triol ChemAxon average_mass 292.3685 ChemAxon mono_mass 292.188588628 ChemAxon smiles CCCCCC(CC)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C14H28O6 ChemAxon inchi InChI=1S/C14H28O6/c1-3-5-6-7-9(4-2)19-14-13(18)12(17)11(16)10(8-15)20-14/h9-18H,3-8H2,1-2H3 ChemAxon inchikey UZTJHMFXKSHSMS-UHFFFAOYSA-N ChemAxon polar_surface_area 99.38 ChemAxon refractivity 72.69 ChemAxon polarizability 32.03 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16947 Specdb::CMs 43031 Specdb::CMs 152935 Specdb::NmrOneD 116938 Specdb::NmrOneD 116939 Specdb::NmrOneD 116940 Specdb::NmrOneD 116941 Specdb::NmrOneD 116942 Specdb::NmrOneD 116943 Specdb::NmrOneD 116944 Specdb::NmrOneD 116945 Specdb::NmrOneD 116946 Specdb::NmrOneD 116947 Specdb::NmrOneD 116948 Specdb::NmrOneD 116949 Specdb::NmrOneD 116950 Specdb::NmrOneD 116951 Specdb::NmrOneD 116952 Specdb::NmrOneD 116953 Specdb::NmrOneD 116954 Specdb::NmrOneD 116955 Specdb::NmrOneD 116956 Specdb::NmrOneD 116957 Specdb::MsMs 87303 Specdb::MsMs 87304 Specdb::MsMs 87305 Specdb::MsMs 149778 Specdb::MsMs 149779 Specdb::MsMs 149780 Specdb::MsMs 2682567 Specdb::MsMs 2682568 Specdb::MsMs 2682569 Specdb::MsMs 3022377 Specdb::MsMs 3022378 Specdb::MsMs 3022379 HMDB32958 #<Reference:0x000055ce32dd4a18> Herbs and Spices Unknown generic