1.0 2010-04-08 22:10:39 UTC 2025-11-18 23:43:41 UTC FDB013342 (1S,2S,4S)-1,8-Epoxy-p-menthane-2,7-diol 2-O-b-D-glucoside Constituent of Foeniculum vulgare (fennel). (1S,2S,4S)-1,8-Epoxy-p-menthane-2,7-diol 2-O-b-D-glucoside is found in herbs and spices. C16H28O8 348.3887 348.178417872 2-(hydroxymethyl)-6-{[1-(hydroxymethyl)-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-6-yl]oxy}oxane-3,4,5-triol 2-(hydroxymethyl)-6-{[1-(hydroxymethyl)-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-6-yl]oxy}oxane-3,4,5-triol 219546-80-2 [H]C12CCC(CO)(OC1(C)C)C(C2)OC1OC(CO)C(O)C(O)C1O InChI=1S/C16H28O8/c1-15(2)8-3-4-16(7-18,24-15)10(5-8)23-14-13(21)12(20)11(19)9(6-17)22-14/h8-14,17-21H,3-7H2,1-2H3 IULDBYINDUBFDT-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 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 Polyol Primary alcohol Secondary alcohol logp -1.06 ALOGPS logs -0.90 ALOGPS solubility 4.39e+01 g/l ALOGPS logp -1.5 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(hydroxymethyl)-6-{[1-(hydroxymethyl)-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-6-yl]oxy}oxane-3,4,5-triol ChemAxon average_mass 348.3887 ChemAxon mono_mass 348.178417872 ChemAxon smiles [H]C12CCC(CO)(OC1(C)C)C(C2)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C16H28O8 ChemAxon inchi InChI=1S/C16H28O8/c1-15(2)8-3-4-16(7-18,24-15)10(5-8)23-14-13(21)12(20)11(19)9(6-17)22-14/h8-14,17-21H,3-7H2,1-2H3 ChemAxon inchikey IULDBYINDUBFDT-UHFFFAOYSA-N ChemAxon polar_surface_area 128.84 ChemAxon refractivity 81.18 ChemAxon polarizability 35.71 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 9440 Specdb::MsMs 9441 Specdb::MsMs 9442 Specdb::MsMs 16112 Specdb::MsMs 16113 Specdb::MsMs 16114 Specdb::MsMs 2664595 Specdb::MsMs 2664596 Specdb::MsMs 2664597 Specdb::MsMs 3017640 Specdb::MsMs 3017641 Specdb::MsMs 3017642 Specdb::CMs 13338 Specdb::CMs 44048 Specdb::CMs 149296 Specdb::CMs 149298 Specdb::CMs 149300 Specdb::CMs 149302 Specdb::CMs 149305 Specdb::CMs 149307 Specdb::CMs 149309 Specdb::CMs 149311 Specdb::CMs 149313 Specdb::CMs 149315 Specdb::CMs 149317 Specdb::CMs 149319 Specdb::CMs 149321 Specdb::CMs 149323 Specdb::CMs 149325 Specdb::CMs 149327 Specdb::CMs 149329 Specdb::CMs 149331 Specdb::CMs 149333 Specdb::CMs 149335 Specdb::CMs 149337 Specdb::CMs 149339 Specdb::CMs 149341 Specdb::NmrOneD 127798 Specdb::NmrOneD 127799 Specdb::NmrOneD 127800 Specdb::NmrOneD 127801 Specdb::NmrOneD 127802 Specdb::NmrOneD 127803 Specdb::NmrOneD 127804 Specdb::NmrOneD 127805 Specdb::NmrOneD 127806 Specdb::NmrOneD 127807 Specdb::NmrOneD 127808 Specdb::NmrOneD 127809 Specdb::NmrOneD 127810 Specdb::NmrOneD 127811 Specdb::NmrOneD 127812 Specdb::NmrOneD 127813 Specdb::NmrOneD 127814 Specdb::NmrOneD 127815 Specdb::NmrOneD 127816 Specdb::NmrOneD 127817 HMDB34786 #<Reference:0x000055ce3199f660> Herbs and Spices Unknown generic