1.0 2010-04-08 22:09:25 UTC 2025-11-18 23:23:51 UTC FDB011001 (1S,2S,4S,5R)-1,8-Epoxy-p-menthane-2,5-diol 2-O-b-D-glucoside Constituent of Foeniculum vulgare (fennel). (1S,2S,4S,5R)-1,8-Epoxy-p-menthane-2,5-diol 2-O-b-D-glucoside is found in herbs and spices. C16H28O8 348.3887 348.178417872 2-({8-hydroxy-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol 2-({8-hydroxy-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol 219583-17-2 CC1(C)OC2(C)CC(O)C1CC2OC1OC(CO)C(O)C(O)C1O InChI=1S/C16H28O8/c1-15(2)7-4-10(16(3,24-15)5-8(7)18)23-14-13(21)12(20)11(19)9(6-17)22-14/h7-14,17-21H,4-6H2,1-3H3 ZAYDZFSAMSYTBB-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 Cyclic alcohols and derivatives Dialkyl ethers Hexoses Hydrocarbon derivatives Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Dialkyl ether Ether Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -1.20 ALOGPS logs -0.87 ALOGPS solubility 4.72e+01 g/l ALOGPS logp -1.9 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 2-({8-hydroxy-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 348.3887 ChemAxon mono_mass 348.178417872 ChemAxon smiles CC1(C)OC2(C)CC(O)C1CC2OC1OC(CO)C(O)C(O)C1O ChemAxon formula C16H28O8 ChemAxon inchi InChI=1S/C16H28O8/c1-15(2)7-4-10(16(3,24-15)5-8(7)18)23-14-13(21)12(20)11(19)9(6-17)22-14/h7-14,17-21H,4-6H2,1-3H3 ChemAxon inchikey ZAYDZFSAMSYTBB-UHFFFAOYSA-N ChemAxon polar_surface_area 128.84 ChemAxon refractivity 81.16 ChemAxon polarizability 35.65 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11780 Specdb::CMs 43054 Specdb::CMs 133440 Specdb::CMs 141174 Specdb::CMs 149274 Specdb::CMs 149276 Specdb::CMs 149278 Specdb::CMs 149280 Specdb::CMs 149282 Specdb::CMs 149284 Specdb::CMs 149286 Specdb::CMs 279717 Specdb::NmrOneD 117458 Specdb::NmrOneD 117459 Specdb::NmrOneD 117460 Specdb::NmrOneD 117461 Specdb::NmrOneD 117462 Specdb::NmrOneD 117463 Specdb::NmrOneD 117464 Specdb::NmrOneD 117465 Specdb::NmrOneD 117466 Specdb::NmrOneD 117467 Specdb::NmrOneD 117468 Specdb::NmrOneD 117469 Specdb::NmrOneD 117470 Specdb::NmrOneD 117471 Specdb::NmrOneD 117472 Specdb::NmrOneD 117473 Specdb::NmrOneD 117474 Specdb::NmrOneD 117475 Specdb::NmrOneD 117476 Specdb::NmrOneD 117477 Specdb::MsMs 8147 Specdb::MsMs 8148 Specdb::MsMs 8149 Specdb::MsMs 14819 Specdb::MsMs 14820 Specdb::MsMs 14821 Specdb::MsMs 2760854 Specdb::MsMs 2760855 Specdb::MsMs 2760856 Specdb::MsMs 2944749 Specdb::MsMs 2944750 Specdb::MsMs 2944751 HMDB0033011 Herbs and Spices Unknown generic