1.0 2010-04-08 22:09:32 UTC 2019-11-26 03:04:42 UTC FDB011235 (1R,2S,4R,5S)-2,5-Fenchanediol 2-O-b-D-glucoside Constituent of Foeniculum vulgare (fennel). (1R,2S,4R,5S)-2,5-Fenchanediol 2-O-b-D-glucoside is found in herbs and spices. (1R,2S,4R,5S)-2,5-Fenchanediol 2-O-b-D-glucopyranoside C16H28O7 332.3893 332.18350325 2-({5-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol 2-({5-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol 217960-83-3 CC1(C)C2CC(C)(CC2O)C1OC1OC(CO)C(O)C(O)C1O InChI=1S/C16H28O7/c1-15(2)7-4-16(3,5-8(7)18)14(15)23-13-12(21)11(20)10(19)9(6-17)22-13/h7-14,17-21H,4-6H2,1-3H3 LDPSEQUXUZQNEM-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 Cyclic alcohols and derivatives Hexoses Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteropolycyclic compound Bicyclic monoterpenoid Cyclic alcohol Fenchane monoterpenoid Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Monosaccharide Monoterpenoid Norbornane monoterpenoid O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Terpene glycoside logp -0.90 ALOGPS logs -1.05 ALOGPS solubility 2.93e+01 g/l ALOGPS logp -0.93 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 2-({5-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 332.3893 ChemAxon mono_mass 332.18350325 ChemAxon smiles CC1(C)C2CC(C)(CC2O)C1OC1OC(CO)C(O)C(O)C1O ChemAxon formula C16H28O7 ChemAxon inchi InChI=1S/C16H28O7/c1-15(2)7-4-16(3,5-8(7)18)14(15)23-13-12(21)11(20)10(19)9(6-17)22-13/h7-14,17-21H,4-6H2,1-3H3 ChemAxon inchikey LDPSEQUXUZQNEM-UHFFFAOYSA-N ChemAxon polar_surface_area 119.61 ChemAxon refractivity 79.17 ChemAxon polarizability 34.73 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18203 Specdb::CMs 43151 Specdb::CMs 163763 Specdb::MsMs 106398 Specdb::MsMs 106399 Specdb::MsMs 106400 Specdb::MsMs 173139 Specdb::MsMs 173140 Specdb::MsMs 173141 Specdb::MsMs 2464221 Specdb::MsMs 2464222 Specdb::MsMs 2464223 Specdb::MsMs 2500739 Specdb::MsMs 2500740 Specdb::MsMs 2500741 Specdb::NmrOneD 118838 Specdb::NmrOneD 118839 Specdb::NmrOneD 118840 Specdb::NmrOneD 118841 Specdb::NmrOneD 118842 Specdb::NmrOneD 118843 Specdb::NmrOneD 118844 Specdb::NmrOneD 118845 Specdb::NmrOneD 118846 Specdb::NmrOneD 118847 Specdb::NmrOneD 118848 Specdb::NmrOneD 118849 Specdb::NmrOneD 118850 Specdb::NmrOneD 118851 Specdb::NmrOneD 118852 Specdb::NmrOneD 118853 Specdb::NmrOneD 118854 Specdb::NmrOneD 118855 Specdb::NmrOneD 118856 Specdb::NmrOneD 118857 HMDB33221 #<Reference:0x000055ce32fa5180> Herbs and Spices Unknown generic