1.0 2010-04-08 22:05:46 UTC 2019-11-26 02:59:05 UTC FDB003373 1-(beta-D-Glucopyranosyloxy)-3-octanone Constituent of the fruit of Carica pubescens (mountain papaya). 1-(beta-D-Glucopyranosyloxy)-3-octanone is found in fruits. 1-(b-D-Glucopyranosyloxy)-3-octanone C14H26O7 306.352 306.167853186 1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octan-3-one 1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octan-3-one 194919-40-9 CCCCCC(=O)CCOC1OC(CO)C(O)C(O)C1O InChI=1S/C14H26O7/c1-2-3-4-5-9(16)6-7-20-14-13(19)12(18)11(17)10(8-15)21-14/h10-15,17-19H,2-8H2,1H3 LXYZKMJJLXYZTE-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 Hydrocarbon derivatives Ketones Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Carbonyl group Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hydrocarbon derivative Ketone Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp 0.02 ALOGPS logs -1.13 ALOGPS solubility 2.29e+01 g/l ALOGPS logp -0.21 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octan-3-one ChemAxon average_mass 306.352 ChemAxon mono_mass 306.167853186 ChemAxon smiles CCCCCC(=O)CCOC1OC(CO)C(O)C(O)C1O ChemAxon formula C14H26O7 ChemAxon inchi InChI=1S/C14H26O7/c1-2-3-4-5-9(16)6-7-20-14-13(19)12(18)11(17)10(8-15)21-14/h10-15,17-19H,2-8H2,1H3 ChemAxon inchikey LXYZKMJJLXYZTE-UHFFFAOYSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 73.44 ChemAxon polarizability 32.88 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 163429 Specdb::NmrOneD 163430 Specdb::NmrOneD 163431 Specdb::NmrOneD 163432 Specdb::NmrOneD 163433 Specdb::NmrOneD 163434 Specdb::NmrOneD 163435 Specdb::NmrOneD 163436 Specdb::NmrOneD 163437 Specdb::NmrOneD 163438 Specdb::NmrOneD 163439 Specdb::NmrOneD 163440 Specdb::NmrOneD 163441 Specdb::NmrOneD 163442 Specdb::NmrOneD 163443 Specdb::NmrOneD 163444 Specdb::NmrOneD 163445 Specdb::NmrOneD 163446 Specdb::NmrOneD 163447 Specdb::NmrOneD 163448 Specdb::CMs 10304 Specdb::CMs 42431 Specdb::CMs 137549 Specdb::CMs 145283 Specdb::MsMs 12362 Specdb::MsMs 12363 Specdb::MsMs 12364 Specdb::MsMs 19034 Specdb::MsMs 19035 Specdb::MsMs 19036 Specdb::MsMs 2391013 Specdb::MsMs 2391014 Specdb::MsMs 2391015 Specdb::MsMs 2575177 Specdb::MsMs 2575178 Specdb::MsMs 2575179 HMDB31315 #<Reference:0x000055ce3215ea40> Fruits Unknown generic