1.0 2010-04-08 22:13:44 UTC 2025-11-19 02:11:38 UTC FDB018466 (4R,6S)-p-Menth-1-ene-4,6-diol 4-glucoside Constituent of fruit of Carum ajowan (ajowan) (4R,6S)-p-Menth-1-ene-4,6-diol 4-glucoside (4R,6S)-p-Menth-1-ene-4,6-diol 4-O-b-D-glucopyranoside C16H28O7 332.3893 332.18350325 2-{[5-hydroxy-4-methyl-1-(propan-2-yl)cyclohex-3-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-[(5-hydroxy-1-isopropyl-4-methylcyclohex-3-en-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 359875-78-8 CC(C)C1(CC=C(C)C(O)C1)OC1OC(CO)C(O)C(O)C1O InChI=1S/C16H28O7/c1-8(2)16(5-4-9(3)10(18)6-16)23-15-14(21)13(20)12(19)11(7-17)22-15/h4,8,10-15,17-21H,5-7H2,1-3H3 HLDKDYHDZWXFNX-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 Hexoses Hydrocarbon derivatives Menthane monoterpenoids Monocyclic monoterpenoids O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Glycosyl compound Hexose monosaccharide 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 logp -0.72 ALOGPS logs -1.35 ALOGPS solubility 1.48e+01 g/l ALOGPS logp -0.74 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{[5-hydroxy-4-methyl-1-(propan-2-yl)cyclohex-3-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 332.3893 ChemAxon mono_mass 332.18350325 ChemAxon smiles CC(C)C1(CC=C(C)C(O)C1)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C16H28O7 ChemAxon inchi InChI=1S/C16H28O7/c1-8(2)16(5-4-9(3)10(18)6-16)23-15-14(21)13(20)12(19)11(7-17)22-15/h4,8,10-15,17-21H,5-7H2,1-3H3 ChemAxon inchikey HLDKDYHDZWXFNX-UHFFFAOYSA-N ChemAxon polar_surface_area 119.61 ChemAxon refractivity 82.19 ChemAxon polarizability 34.7 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18802 Specdb::CMs 46182 Specdb::CMs 131627 Specdb::CMs 139361 Specdb::MsMs 100494 Specdb::MsMs 100495 Specdb::MsMs 100496 Specdb::MsMs 165834 Specdb::MsMs 165835 Specdb::MsMs 165836 Specdb::MsMs 2432188 Specdb::MsMs 2432189 Specdb::MsMs 2432190 Specdb::MsMs 2503445 Specdb::MsMs 2503446 Specdb::MsMs 2503447 Specdb::NmrOneD 30402 Specdb::NmrOneD 30403 Specdb::NmrOneD 30404 Specdb::NmrOneD 30405 Specdb::NmrOneD 30406 Specdb::NmrOneD 30407 Specdb::NmrOneD 30408 Specdb::NmrOneD 30409 Specdb::NmrOneD 30410 Specdb::NmrOneD 30411 Specdb::NmrOneD 30412 Specdb::NmrOneD 30413 Specdb::NmrOneD 30414 Specdb::NmrOneD 30415 Specdb::NmrOneD 30416 Specdb::NmrOneD 30417 Specdb::NmrOneD 30418 Specdb::NmrOneD 30419 Specdb::NmrOneD 30420 Specdb::NmrOneD 30421 HMDB38980 #<Reference:0x000055ce322d47d0>