1.0 2010-04-08 22:13:43 UTC 2019-11-26 03:16:10 UTC FDB018450 3-Hydroxy-4,6-heptadiyne-1-yl 1-glucoside Isolated from aerial parts of Artemisia dracunculus (tarragon). 3-Hydroxy-4,6-heptadiyne-1-yl 1-glucoside is found in herbs and spices. 3-Hydroxy-4,6-heptadiyne-1-yl 1-glucoside 3-Hydroxy-4,6-heptadiyne-1-yl 1-O-b-D-glucopyranoside 4,6-Heptadiyne-1,3-diol 1-O-b-D-glucopyranoside C13H18O7 286.2778 286.10525293 2-[(3-hydroxyhepta-4,6-diyn-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 2-[(3-hydroxyhepta-4,6-diyn-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 617-45-8 OCC1OC(OCCC(O)C#CC#C)C(O)C(O)C1O InChI=1S/C13H18O7/c1-2-3-4-8(15)5-6-19-13-12(18)11(17)10(16)9(7-14)20-13/h1,8-18H,5-7H2 JCEVIZQLLKDJRQ-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 Acetylides Alkyl glycosides Hexoses Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Acetylide 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 -1.38 ALOGPS logs -2.54 ALOGPS solubility 8.16e-01 g/l ALOGPS logp -2.2 ChemAxon pka_strongest_acidic 12.18 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-[(3-hydroxyhepta-4,6-diyn-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 286.2778 ChemAxon mono_mass 286.10525293 ChemAxon smiles OCC1OC(OCCC(O)C#CC#C)C(O)C(O)C1O ChemAxon formula C13H18O7 ChemAxon inchi InChI=1S/C13H18O7/c1-2-3-4-8(15)5-6-19-13-12(18)11(17)10(16)9(7-14)20-13/h1,8-18H,5-7H2 ChemAxon inchikey JCEVIZQLLKDJRQ-UHFFFAOYSA-N ChemAxon polar_surface_area 119.61 ChemAxon refractivity 67.65 ChemAxon polarizability 29.08 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12672 Specdb::CMs 46175 Specdb::CMs 173678 Specdb::MsMs 49923 Specdb::MsMs 49924 Specdb::MsMs 49925 Specdb::MsMs 138480 Specdb::MsMs 138481 Specdb::MsMs 138482 Specdb::MsMs 2458652 Specdb::MsMs 2458653 Specdb::MsMs 2458654 Specdb::MsMs 2476595 Specdb::MsMs 2476596 Specdb::MsMs 2476597 Specdb::NmrOneD 30282 Specdb::NmrOneD 30283 Specdb::NmrOneD 30284 Specdb::NmrOneD 30285 Specdb::NmrOneD 30286 Specdb::NmrOneD 30287 Specdb::NmrOneD 30288 Specdb::NmrOneD 30289 Specdb::NmrOneD 30290 Specdb::NmrOneD 30291 Specdb::NmrOneD 30292 Specdb::NmrOneD 30293 Specdb::NmrOneD 30294 Specdb::NmrOneD 30295 Specdb::NmrOneD 30296 Specdb::NmrOneD 30297 Specdb::NmrOneD 30298 Specdb::NmrOneD 30299 Specdb::NmrOneD 30300 Specdb::NmrOneD 30301 HMDB38964 #<Reference:0x000055ce32f45cd0> Herbs and Spices Unknown generic