1.0 2010-04-08 22:14:29 UTC 2025-11-19 02:22:48 UTC FDB019643 (1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol 2-glucoside Constituent of fruit of Carum carvi (caraway). (1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol 2-glucoside is found in fats and oils and herbs and spices. (1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol 2-glucoside (1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol 2-O-b-D-glucopyranoside C16H30O9 366.404 366.188982558 2-{[5-(1,2-dihydroxypropan-2-yl)-2-hydroxy-2-methylcyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[5-(1,2-dihydroxypropan-2-yl)-2-hydroxy-2-methylcyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 402593-52-6 CC(O)(CO)C1CCC(C)(O)C(C1)OC1OC(CO)C(O)C(O)C1O InChI=1S/C16H30O9/c1-15(22)4-3-8(16(2,23)7-18)5-10(15)25-14-13(21)12(20)11(19)9(6-17)24-14/h8-14,17-23H,3-7H2,1-2H3 HKSOQIVAOUMKMF-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 heteromonocyclic compounds Acetals Cyclic alcohols and derivatives Cyclohexanols Hydrocarbon derivatives Menthane monoterpenoids Monocyclic monoterpenoids Monosaccharides O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Tertiary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Cyclic alcohol Cyclohexanol Glycosyl compound Hydrocarbon derivative Monocyclic monoterpenoid Monosaccharide Monoterpenoid O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane P-menthane monoterpenoid Polyol Primary alcohol Secondary alcohol Terpene glycoside Tertiary alcohol logp -1.81 ALOGPS logs -0.92 ALOGPS solubility 4.46e+01 g/l ALOGPS logp -2.7 ChemAxon pka_strongest_acidic 12.19 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{[5-(1,2-dihydroxypropan-2-yl)-2-hydroxy-2-methylcyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 366.404 ChemAxon mono_mass 366.188982558 ChemAxon smiles CC(O)(CO)C1CCC(C)(O)C(C1)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C16H30O9 ChemAxon inchi InChI=1S/C16H30O9/c1-15(22)4-3-8(16(2,23)7-18)5-10(15)25-14-13(21)12(20)11(19)9(6-17)24-14/h8-14,17-23H,3-7H2,1-2H3 ChemAxon inchikey HKSOQIVAOUMKMF-UHFFFAOYSA-N ChemAxon polar_surface_area 160.07 ChemAxon refractivity 84.69 ChemAxon polarizability 37.58 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 9 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13047 Specdb::CMs 46667 Specdb::CMs 137592 Specdb::CMs 145326 Specdb::MsMs 294652 Specdb::MsMs 294653 Specdb::MsMs 294654 Specdb::MsMs 335440 Specdb::MsMs 335441 Specdb::MsMs 335442 Specdb::MsMs 2797994 Specdb::MsMs 2797995 Specdb::MsMs 2797996 Specdb::MsMs 2880911 Specdb::MsMs 2880912 Specdb::MsMs 2880913 Specdb::NmrOneD 37442 Specdb::NmrOneD 37443 Specdb::NmrOneD 37444 Specdb::NmrOneD 37445 Specdb::NmrOneD 37446 Specdb::NmrOneD 37447 Specdb::NmrOneD 37448 Specdb::NmrOneD 37449 Specdb::NmrOneD 37450 Specdb::NmrOneD 37451 Specdb::NmrOneD 37452 Specdb::NmrOneD 37453 Specdb::NmrOneD 37454 Specdb::NmrOneD 37455 Specdb::NmrOneD 37456 Specdb::NmrOneD 37457 Specdb::NmrOneD 37458 Specdb::NmrOneD 37459 Specdb::NmrOneD 37460 Specdb::NmrOneD 37461 HMDB0039975 Fats and oils Unknown generic Herbs and Spices Unknown generic