1.0 2020-04-06 11:14:41 UTC 2025-11-19 03:10:41 UTC FDB111722 Neomenthol-glucuronide C16H28O7 332.3893 332.18350325 (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}oxane-2-carboxylic acid (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2-isopropyl-5-methylcyclohexyl)oxy]oxane-2-carboxylic acid CC(C)C1CCC(C)CC1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O InChI=1S/C16H28O7/c1-7(2)9-5-4-8(3)6-10(9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h7-14,16-19H,4-6H2,1-3H3,(H,20,21)/t8?,9?,10?,11-,12-,13+,14-,16+/m0/s1 CLJGMBYGTHRUNF-SHLVDPONSA-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 Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Menthane monoterpenoids Monocarboxylic acids and derivatives Monocyclic monoterpenoids Monosaccharides O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyrans Secondary alcohols 1-o-glucuronide Acetal Alcohol Aliphatic heteromonocyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Glucuronic acid or derivatives Glycosyl compound Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives Monocyclic monoterpenoid Monosaccharide Monoterpenoid O-glucuronide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane P-menthane monoterpenoid Polyol Pyran Secondary alcohol Terpene glycoside logp 1.00 ALOGPS logs -1.47 ALOGPS solubility 1.12e+01 g/l ALOGPS logp 1.21 ChemAxon pka_strongest_acidic 3.91 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}oxane-2-carboxylic acid ChemAxon average_mass 332.3893 ChemAxon mono_mass 332.18350325 ChemAxon smiles CC(C)C1CCC(C)CC1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O ChemAxon formula C16H28O7 ChemAxon inchi InChI=1S/C16H28O7/c1-7(2)9-5-4-8(3)6-10(9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h7-14,16-19H,4-6H2,1-3H3,(H,20,21)/t8?,9?,10?,11-,12-,13+,14-,16+/m0/s1 ChemAxon inchikey CLJGMBYGTHRUNF-SHLVDPONSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 79.73 ChemAxon polarizability 35.24 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 36078 Specdb::CMs 48002 Specdb::CMs 147815 Specdb::MsMs 909373 Specdb::MsMs 909374 Specdb::MsMs 909375 Specdb::MsMs 956149 Specdb::MsMs 956150 Specdb::MsMs 956151 Specdb::MsMs 3224251 Specdb::MsMs 3224252 Specdb::MsMs 3224253 Specdb::MsMs 3224254 Specdb::MsMs 3224255 Specdb::MsMs 3224256 Specdb::NmrOneD 55462 Specdb::NmrOneD 55463 Specdb::NmrOneD 55464 Specdb::NmrOneD 55465 Specdb::NmrOneD 55466 Specdb::NmrOneD 55467 Specdb::NmrOneD 55468 Specdb::NmrOneD 55469 Specdb::NmrOneD 55470 Specdb::NmrOneD 55471 Specdb::NmrOneD 55472 Specdb::NmrOneD 55473 Specdb::NmrOneD 55474 Specdb::NmrOneD 55475 Specdb::NmrOneD 55476 Specdb::NmrOneD 55477 Specdb::NmrOneD 55478 Specdb::NmrOneD 55479 Specdb::NmrOneD 55480 Specdb::NmrOneD 55481 HMDB0060012 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823