1.0 2010-04-08 22:13:44 UTC 2025-11-19 02:11:38 UTC FDB018465 (3b,4b,5b)-4,5-Epoxy-p-menth-1-en-3-ol 3-glucoside Constituent of Carum ajowan (ajowan) (3b,4b,5b)-4,5-Epoxy-p-menth-1-en-3-ol 3-glucoside (3b,4b,5b)-4,5-Epoxy-p-menth-1-en-3-ol 3-O-b-D-glucopyranoside C16H26O7 330.3734 330.167853186 2-(hydroxymethyl)-6-{[4-methyl-1-(propan-2-yl)-7-oxabicyclo[4.1.0]hept-3-en-2-yl]oxy}oxane-3,4,5-triol 2-(hydroxymethyl)-6-({1-isopropyl-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-yl}oxy)oxane-3,4,5-triol 359875-79-9 CC(C)C12OC1CC(C)=CC2OC1OC(CO)C(O)C(O)C1O InChI=1S/C16H26O7/c1-7(2)16-10(4-8(3)5-11(16)23-16)22-15-14(20)13(19)12(18)9(6-17)21-15/h4,7,9-15,17-20H,5-6H2,1-3H3 BMTDVVBLRDGOJT-UHFFFAOYSA-N belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. O-glycosyl compounds Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteropolycyclic compounds Acetals Dialkyl ethers Epoxides Hydrocarbon derivatives Monosaccharides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteropolycyclic compound Dialkyl ether Ether Hydrocarbon derivative Monosaccharide O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Oxirane Polyol Primary alcohol Secondary alcohol logp -0.39 ALOGPS logs -1.35 ALOGPS solubility 1.49e+01 g/l ALOGPS logp -0.27 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(hydroxymethyl)-6-{[4-methyl-1-(propan-2-yl)-7-oxabicyclo[4.1.0]hept-3-en-2-yl]oxy}oxane-3,4,5-triol ChemAxon average_mass 330.3734 ChemAxon mono_mass 330.167853186 ChemAxon smiles CC(C)C12OC1CC(C)=CC2OC1OC(CO)C(O)C(O)C1O ChemAxon formula C16H26O7 ChemAxon inchi InChI=1S/C16H26O7/c1-7(2)16-10(4-8(3)5-11(16)23-16)22-15-14(20)13(19)12(18)9(6-17)21-15/h4,7,9-15,17-20H,5-6H2,1-3H3 ChemAxon inchikey BMTDVVBLRDGOJT-UHFFFAOYSA-N ChemAxon polar_surface_area 111.91 ChemAxon refractivity 79.78 ChemAxon polarizability 34.45 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16190 Specdb::CMs 46181 Specdb::CMs 136035 Specdb::CMs 143769 Specdb::MsMs 43002 Specdb::MsMs 43003 Specdb::MsMs 43004 Specdb::MsMs 112296 Specdb::MsMs 112297 Specdb::MsMs 112298 Specdb::MsMs 2708531 Specdb::MsMs 2708532 Specdb::MsMs 2708533 Specdb::MsMs 2999848 Specdb::MsMs 2999849 Specdb::MsMs 2999850 Specdb::NmrOneD 30382 Specdb::NmrOneD 30383 Specdb::NmrOneD 30384 Specdb::NmrOneD 30385 Specdb::NmrOneD 30386 Specdb::NmrOneD 30387 Specdb::NmrOneD 30388 Specdb::NmrOneD 30389 Specdb::NmrOneD 30390 Specdb::NmrOneD 30391 Specdb::NmrOneD 30392 Specdb::NmrOneD 30393 Specdb::NmrOneD 30394 Specdb::NmrOneD 30395 Specdb::NmrOneD 30396 Specdb::NmrOneD 30397 Specdb::NmrOneD 30398 Specdb::NmrOneD 30399 Specdb::NmrOneD 30400 Specdb::NmrOneD 30401 HMDB38979 #<Reference:0x000055ce309aad18>