1.0 2010-04-08 22:09:32 UTC 2019-11-26 03:04:42 UTC FDB011233 (1S,2S,4R,5S,7S)-2,5,7-Fenchanetriol 2-O-b-D-glucoside Constituent of Foeniculum vulgare (fennel). (1S,2S,4R,5S,7S)-2,5,7-Fenchanetriol 2-O-b-D-glucoside is found in herbs and spices. (1S,2S,4R,5S,7S)-2,5,7-Fenchanetriol 2-O-b-D-glucopyranoside C16H28O8 348.3887 348.178417872 2-({5,7-dihydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol 2-({5,7-dihydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol 217960-85-5 CC1(C)C2C(O)CC(C)(C2O)C1OC1OC(CO)C(O)C(O)C1O InChI=1S/C16H28O8/c1-15(2)8-6(18)4-16(3,12(8)22)14(15)24-13-11(21)10(20)9(19)7(5-17)23-13/h6-14,17-22H,4-5H2,1-3H3 QSWGTHMJOKIYMV-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 -1.81 ALOGPS logs -0.84 ALOGPS solubility 5.05e+01 g/l ALOGPS melting_point Mp 211-213° logp -2.1 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 2-({5,7-dihydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 348.3887 ChemAxon mono_mass 348.178417872 ChemAxon smiles CC1(C)C2C(O)CC(C)(C2O)C1OC1OC(CO)C(O)C(O)C1O ChemAxon formula C16H28O8 ChemAxon inchi InChI=1S/C16H28O8/c1-15(2)8-6(18)4-16(3,12(8)22)14(15)24-13-11(21)10(20)9(19)7(5-17)23-13/h6-14,17-22H,4-5H2,1-3H3 ChemAxon inchikey QSWGTHMJOKIYMV-UHFFFAOYSA-N ChemAxon polar_surface_area 139.84 ChemAxon refractivity 80.58 ChemAxon polarizability 35.63 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 118798 Specdb::NmrOneD 118799 Specdb::NmrOneD 118800 Specdb::NmrOneD 118801 Specdb::NmrOneD 118802 Specdb::NmrOneD 118803 Specdb::NmrOneD 118804 Specdb::NmrOneD 118805 Specdb::NmrOneD 118806 Specdb::NmrOneD 118807 Specdb::NmrOneD 118808 Specdb::NmrOneD 118809 Specdb::NmrOneD 118810 Specdb::NmrOneD 118811 Specdb::NmrOneD 118812 Specdb::NmrOneD 118813 Specdb::NmrOneD 118814 Specdb::NmrOneD 118815 Specdb::NmrOneD 118816 Specdb::NmrOneD 118817 Specdb::MsMs 59076 Specdb::MsMs 59077 Specdb::MsMs 59078 Specdb::MsMs 115125 Specdb::MsMs 115126 Specdb::MsMs 115127 Specdb::MsMs 2345834 Specdb::MsMs 2345835 Specdb::MsMs 2345836 Specdb::MsMs 2592409 Specdb::MsMs 2592410 Specdb::MsMs 2592411 Specdb::CMs 14120 Specdb::CMs 43149 Specdb::CMs 149288 Specdb::CMs 149290 Specdb::CMs 149292 Specdb::CMs 149294 Specdb::CMs 153432 Specdb::CMs 279718 HMDB33219 #<Reference:0x000055ce32396650> Herbs and Spices Unknown generic