1.0 2010-04-08 22:13:44 UTC 2025-11-19 02:11:39 UTC FDB018467 (S)-p-Menth-1-ene-4,7-diol 4-glucoside Constituent of fruit of Carum ajowan (ajowan) (S)-p-Menth-1-ene-4,7-diol 4-glucoside (S)-p-Menth-1-ene-4,7-diol 4-O-b-D-glucopyranoside C16H28O7 332.3893 332.18350325 2-(hydroxymethyl)-6-{[4-(hydroxymethyl)-1-(propan-2-yl)cyclohex-3-en-1-yl]oxy}oxane-3,4,5-triol 2-(hydroxymethyl)-6-{[4-(hydroxymethyl)-1-isopropylcyclohex-3-en-1-yl]oxy}oxane-3,4,5-triol 359875-77-7 CC(C)C1(CCC(CO)=CC1)OC1OC(CO)C(O)C(O)C1O InChI=1S/C16H28O7/c1-9(2)16(5-3-10(7-17)4-6-16)23-15-14(21)13(20)12(19)11(8-18)22-15/h3,9,11-15,17-21H,4-8H2,1-2H3 WBDMFFSFFQSHFV-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 Hydrocarbon derivatives Menthane monoterpenoids Monocyclic monoterpenoids Monosaccharides O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound 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 logp -0.62 ALOGPS logs -1.50 ALOGPS solubility 1.06e+01 g/l ALOGPS logp -0.72 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -2 ChemAxon iupac 2-(hydroxymethyl)-6-{[4-(hydroxymethyl)-1-(propan-2-yl)cyclohex-3-en-1-yl]oxy}oxane-3,4,5-triol ChemAxon average_mass 332.3893 ChemAxon mono_mass 332.18350325 ChemAxon smiles CC(C)C1(CCC(CO)=CC1)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C16H28O7 ChemAxon inchi InChI=1S/C16H28O7/c1-9(2)16(5-3-10(7-17)4-6-16)23-15-14(21)13(20)12(19)11(8-18)22-15/h3,9,11-15,17-21H,4-8H2,1-2H3 ChemAxon inchikey WBDMFFSFFQSHFV-UHFFFAOYSA-N ChemAxon polar_surface_area 119.61 ChemAxon refractivity 82.5 ChemAxon polarizability 34.81 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 12749 Specdb::MsMs 12750 Specdb::MsMs 12751 Specdb::MsMs 19421 Specdb::MsMs 19422 Specdb::MsMs 19423 Specdb::MsMs 2710424 Specdb::MsMs 2710425 Specdb::MsMs 2710426 Specdb::MsMs 2994896 Specdb::MsMs 2994897 Specdb::MsMs 2994898 Specdb::CMs 11628 Specdb::CMs 46183 Specdb::CMs 131962 Specdb::CMs 139696 Specdb::NmrOneD 30422 Specdb::NmrOneD 30423 Specdb::NmrOneD 30424 Specdb::NmrOneD 30425 Specdb::NmrOneD 30426 Specdb::NmrOneD 30427 Specdb::NmrOneD 30428 Specdb::NmrOneD 30429 Specdb::NmrOneD 30430 Specdb::NmrOneD 30431 Specdb::NmrOneD 30432 Specdb::NmrOneD 30433 Specdb::NmrOneD 30434 Specdb::NmrOneD 30435 Specdb::NmrOneD 30436 Specdb::NmrOneD 30437 Specdb::NmrOneD 30438 Specdb::NmrOneD 30439 Specdb::NmrOneD 30440 Specdb::NmrOneD 30441 HMDB38981 #<Reference:0x000055ce32613978>