1.0 2010-04-08 22:09:26 UTC 2019-11-26 03:04:31 UTC FDB011057 Tiglic alcohol glucoside Occurs in fennel. Tiglic alcohol glucoside is found in herbs and spices. (E)-2-Methyl-2-buten-1-ol O-beta-D-glucopyranoside Tiglic alcohol O-beta-D-glucopyranoside Tiglic alcohol O-beta-D-glucoside C11H20O6 248.2729 248.125988372 2-(hydroxymethyl)-6-{[(2E)-2-methylbut-2-en-1-yl]oxy}oxane-3,4,5-triol 2-(hydroxymethyl)-6-{[(2E)-2-methylbut-2-en-1-yl]oxy}oxane-3,4,5-triol 64-17-5 C\C=C(/C)COC1OC(CO)C(O)C(O)C1O InChI=1S/C11H20O6/c1-3-6(2)5-16-11-10(15)9(14)8(13)7(4-12)17-11/h3,7-15H,4-5H2,1-2H3/b6-3+ RQSHFEQQQBCYNX-ZZXKWVIFSA-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 Monosaccharides 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 Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -0.92 ALOGPS logs -0.40 ALOGPS solubility 9.93e+01 g/l ALOGPS melting_point Mp 55-56° logp -0.93 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(hydroxymethyl)-6-{[(2E)-2-methylbut-2-en-1-yl]oxy}oxane-3,4,5-triol ChemAxon average_mass 248.2729 ChemAxon mono_mass 248.125988372 ChemAxon smiles C\C=C(/C)COC1OC(CO)C(O)C(O)C1O ChemAxon formula C11H20O6 ChemAxon inchi InChI=1S/C11H20O6/c1-3-6(2)5-16-11-10(15)9(14)8(13)7(4-12)17-11/h3,7-15H,4-5H2,1-2H3/b6-3+ ChemAxon inchikey RQSHFEQQQBCYNX-ZZXKWVIFSA-N ChemAxon polar_surface_area 99.38 ChemAxon refractivity 59.79 ChemAxon polarizability 25.78 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13449 Specdb::CMs 43074 Specdb::CMs 148546 Specdb::NmrOneD 117638 Specdb::NmrOneD 117639 Specdb::NmrOneD 117640 Specdb::NmrOneD 117641 Specdb::NmrOneD 117642 Specdb::NmrOneD 117643 Specdb::NmrOneD 117644 Specdb::NmrOneD 117645 Specdb::NmrOneD 117646 Specdb::NmrOneD 117647 Specdb::NmrOneD 117648 Specdb::NmrOneD 117649 Specdb::NmrOneD 117650 Specdb::NmrOneD 117651 Specdb::NmrOneD 117652 Specdb::NmrOneD 117653 Specdb::NmrOneD 117654 Specdb::NmrOneD 117655 Specdb::NmrOneD 117656 Specdb::NmrOneD 117657 Specdb::MsMs 95640 Specdb::MsMs 95641 Specdb::MsMs 95642 Specdb::MsMs 159945 Specdb::MsMs 159946 Specdb::MsMs 159947 Specdb::MsMs 2347070 Specdb::MsMs 2347071 Specdb::MsMs 2347072 Specdb::MsMs 2591968 Specdb::MsMs 2591969 Specdb::MsMs 2591970 HMDB33064 #<Reference:0x000055ce321ca3d0> Herbs and Spices Unknown generic sweet