1.0 2010-04-08 22:09:32 UTC 2019-11-26 03:04:43 UTC FDB011236 (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside Constituent of Foeniculum vulgare (fennel). (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside is found in herbs and spices. (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucopyranoside C16H26O8 346.3728 346.162767808 3-(hydroxymethyl)-1,3-dimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}bicyclo[2.2.1]heptan-2-one 3-(hydroxymethyl)-1,3-dimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}bicyclo[2.2.1]heptan-2-one 217960-73-1 CC1(CO)C2CC(OC3OC(CO)C(O)C(O)C3O)C(C)(C2)C1=O InChI=1S/C16H26O8/c1-15-4-7(16(2,6-18)14(15)22)3-9(15)24-13-12(21)11(20)10(19)8(5-17)23-13/h7-13,17-21H,3-6H2,1-2H3 QZAWDTYMSDWVFW-UHFFFAOYSA-N belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Terpene glycosides Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteropolycyclic compounds Acetals Bicyclic monoterpenoids Hexoses Hydrocarbon derivatives Ketones O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteropolycyclic compound Bicyclic monoterpenoid Carbonyl group Fenchane monoterpenoid Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Ketone Monosaccharide Monoterpenoid Norbornane monoterpenoid O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Terpene glycoside logp -0.81 ALOGPS logs -1.02 ALOGPS solubility 3.30e+01 g/l ALOGPS logp -1.2 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 3-(hydroxymethyl)-1,3-dimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}bicyclo[2.2.1]heptan-2-one ChemAxon average_mass 346.3728 ChemAxon mono_mass 346.162767808 ChemAxon smiles CC1(CO)C2CC(OC3OC(CO)C(O)C(O)C3O)C(C)(C2)C1=O ChemAxon formula C16H26O8 ChemAxon inchi InChI=1S/C16H26O8/c1-15-4-7(16(2,6-18)14(15)22)3-9(15)24-13-12(21)11(20)10(19)8(5-17)23-13/h7-13,17-21H,3-6H2,1-2H3 ChemAxon inchikey QZAWDTYMSDWVFW-UHFFFAOYSA-N ChemAxon polar_surface_area 136.68 ChemAxon refractivity 80.25 ChemAxon polarizability 35.15 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 118858 Specdb::NmrOneD 118859 Specdb::NmrOneD 118860 Specdb::NmrOneD 118861 Specdb::NmrOneD 118862 Specdb::NmrOneD 118863 Specdb::NmrOneD 118864 Specdb::NmrOneD 118865 Specdb::NmrOneD 118866 Specdb::NmrOneD 118867 Specdb::NmrOneD 118868 Specdb::NmrOneD 118869 Specdb::NmrOneD 118870 Specdb::NmrOneD 118871 Specdb::NmrOneD 118872 Specdb::NmrOneD 118873 Specdb::NmrOneD 118874 Specdb::NmrOneD 118875 Specdb::NmrOneD 118876 Specdb::NmrOneD 118877 Specdb::MsMs 11930 Specdb::MsMs 11931 Specdb::MsMs 11932 Specdb::MsMs 18602 Specdb::MsMs 18603 Specdb::MsMs 18604 Specdb::MsMs 2776565 Specdb::MsMs 2776566 Specdb::MsMs 2776567 Specdb::MsMs 2901867 Specdb::MsMs 2901868 Specdb::MsMs 2901869 Specdb::CMs 12967 Specdb::CMs 43152 Specdb::CMs 131780 Specdb::CMs 139514 HMDB33222 #<Reference:0x000055ce315b8ee8> Herbs and Spices Unknown generic