1.0 2010-04-08 22:15:13 UTC 2019-11-26 03:19:22 UTC FDB020732 Methyl (3x,10R)-dihydroxy-11-dodecene-6,8-diynoate 10-glucoside Constituent of Helianthus tuberosus (Jerusalem artichoke). Methyl (3x,10R)-dihydroxy-11-dodecene-6,8-diynoate 10-glucoside is found in root vegetables. Methyl (3x,10R)-dihydroxy-11-dodecene-6,8-diynoate 10-glucoside Methyl (3x,10R)-dihydroxy-11-dodecene-6,8-diynoate 10-O-b-D-glucopyranoside C19H26O9 398.4043 398.15768243 methyl 3-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}dodec-11-en-6,8-diynoate methyl 3-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}dodec-11-en-6,8-diynoate 152141-43-0 COC(=O)CC(O)CCC#CC#CC(OC1OC(CO)C(O)C(O)C1O)C=C InChI=1S/C19H26O9/c1-3-13(9-7-5-4-6-8-12(21)10-15(22)26-2)27-19-18(25)17(24)16(23)14(11-20)28-19/h3,12-14,16-21,23-25H,1,6,8,10-11H2,2H3 UOPMCWHYLKOBAX-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 Beta hydroxy acids and derivatives Carbonyl compounds Fatty acid methyl esters Fatty alcohols Hexoses Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Sugar acids and derivatives Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Beta-hydroxy acid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acid methyl ester Fatty acyl glycoside of mono- or disaccharide Fatty alcohol Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxy acid Methyl ester Monocarboxylic acid or derivatives Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Sugar acid logp 0.02 ALOGPS logs -3.36 ALOGPS solubility 1.75e-01 g/l ALOGPS logp -0.59 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac methyl 3-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}dodec-11-en-6,8-diynoate ChemAxon average_mass 398.4043 ChemAxon mono_mass 398.15768243 ChemAxon smiles COC(=O)CC(O)CCC#CC#CC(OC1OC(CO)C(O)C(O)C1O)C=C ChemAxon formula C19H26O9 ChemAxon inchi InChI=1S/C19H26O9/c1-3-13(9-7-5-4-6-8-12(21)10-15(22)26-2)27-19-18(25)17(24)16(23)14(11-20)28-19/h3,12-14,16-21,23-25H,1,6,8,10-11H2,2H3 ChemAxon inchikey UOPMCWHYLKOBAX-UHFFFAOYSA-N ChemAxon polar_surface_area 145.91 ChemAxon refractivity 97.51 ChemAxon polarizability 41.74 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22841 Specdb::CMs 47017 Specdb::CMs 158180 Specdb::NmrOneD 44002 Specdb::NmrOneD 44003 Specdb::NmrOneD 44004 Specdb::NmrOneD 44005 Specdb::NmrOneD 44006 Specdb::NmrOneD 44007 Specdb::NmrOneD 44008 Specdb::NmrOneD 44009 Specdb::NmrOneD 44010 Specdb::NmrOneD 44011 Specdb::NmrOneD 44012 Specdb::NmrOneD 44013 Specdb::NmrOneD 44014 Specdb::NmrOneD 44015 Specdb::NmrOneD 44016 Specdb::NmrOneD 44017 Specdb::NmrOneD 44018 Specdb::NmrOneD 44019 Specdb::NmrOneD 44020 Specdb::NmrOneD 44021 Specdb::MsMs 316696 Specdb::MsMs 316697 Specdb::MsMs 316698 Specdb::MsMs 363022 Specdb::MsMs 363023 Specdb::MsMs 363024 Specdb::MsMs 2810033 Specdb::MsMs 2810034 Specdb::MsMs 2810035 Specdb::MsMs 2899623 Specdb::MsMs 2899624 Specdb::MsMs 2899625 HMDB40896 #<Reference:0x000055ce3054ed50> Root vegetables Unknown generic