1.0 2010-04-08 22:09:32 UTC 2019-11-26 03:04:42 UTC FDB011234 (1R,2R,4S,6R)-2,6-Fenchanediol 2-O-b-D-glucoside Constituent of Foeniculum vulgare (fennel). (1R,2R,4S,6R)-2,6-Fenchanediol 2-O-b-D-glucoside is found in herbs and spices. (1R,2R,4S,6R)-2,6-Fenchanediol 2-O-b-D-glucopyranoside C16H28O7 332.3893 332.18350325 2-({6-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol 2-({6-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol 217960-81-1 CC1(C)C2CC(O)C(C)(C2)C1OC1OC(CO)C(O)C(O)C1O InChI=1S/C16H28O7/c1-15(2)7-4-9(18)16(3,5-7)14(15)23-13-12(21)11(20)10(19)8(6-17)22-13/h7-14,17-21H,4-6H2,1-3H3 ZXTOJNKDXKFQAG-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 -0.74 ALOGPS logs -1.04 ALOGPS solubility 3.02e+01 g/l ALOGPS logp -0.86 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-({6-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(O)C(C)(C2)C1OC1OC(CO)C(O)C(O)C1O ChemAxon formula C16H28O7 ChemAxon inchi InChI=1S/C16H28O7/c1-15(2)7-4-9(18)16(3,5-7)14(15)23-13-12(21)11(20)10(19)8(6-17)22-13/h7-14,17-21H,4-6H2,1-3H3 ChemAxon inchikey ZXTOJNKDXKFQAG-UHFFFAOYSA-N ChemAxon polar_surface_area 119.61 ChemAxon refractivity 79.09 ChemAxon polarizability 34.59 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10481 Specdb::CMs 43150 Specdb::CMs 134331 Specdb::CMs 142065 Specdb::MsMs 84240 Specdb::MsMs 84241 Specdb::MsMs 84242 Specdb::MsMs 146031 Specdb::MsMs 146032 Specdb::MsMs 146033 Specdb::MsMs 2714965 Specdb::MsMs 2714966 Specdb::MsMs 2714967 Specdb::MsMs 2967723 Specdb::MsMs 2967724 Specdb::MsMs 2967725 Specdb::NmrOneD 118818 Specdb::NmrOneD 118819 Specdb::NmrOneD 118820 Specdb::NmrOneD 118821 Specdb::NmrOneD 118822 Specdb::NmrOneD 118823 Specdb::NmrOneD 118824 Specdb::NmrOneD 118825 Specdb::NmrOneD 118826 Specdb::NmrOneD 118827 Specdb::NmrOneD 118828 Specdb::NmrOneD 118829 Specdb::NmrOneD 118830 Specdb::NmrOneD 118831 Specdb::NmrOneD 118832 Specdb::NmrOneD 118833 Specdb::NmrOneD 118834 Specdb::NmrOneD 118835 Specdb::NmrOneD 118836 Specdb::NmrOneD 118837 HMDB33220 #<Reference:0x000055ce31e38898> Herbs and Spices Unknown generic