1.0 2010-04-08 22:15:12 UTC 2025-11-19 02:33:20 UTC FDB020703 Icariside D1 Icariside d1 is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Icariside d1 is soluble (in water) and a very weakly acidic compound (based on its pKa). Icariside d1 can be found in anise and pomegranate, which makes icariside d1 a potential biomarker for the consumption of these food products. Icariside D1 C19H28O10 416.4196 416.168247116 2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(2-phenylethoxy)oxane-3,4,5-triol 2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(2-phenylethoxy)oxane-3,4,5-triol 112267-85-3 OCC1(O)COC(OCC2OC(OCCC3=CC=CC=C3)C(O)C(O)C2O)C1O InChI=1S/C19H28O10/c20-9-19(25)10-28-18(16(19)24)27-8-12-13(21)14(22)15(23)17(29-12)26-7-6-11-4-2-1-3-5-11/h1-5,12-18,20-25H,6-10H2 GZSQKOFXMZDKPV-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 Aromatic heteromonocyclic compounds Acetals Benzene and substituted derivatives Disaccharides Hydrocarbon derivatives Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tertiary alcohols Tetrahydrofurans Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Disaccharide Hydrocarbon derivative Monocyclic benzene moiety O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Tertiary alcohol Tetrahydrofuran logp -1.19 ALOGPS logs -1.61 ALOGPS solubility 1.02e+01 g/l ALOGPS logp -1.6 ChemAxon pka_strongest_acidic 11.71 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(2-phenylethoxy)oxane-3,4,5-triol ChemAxon average_mass 416.4196 ChemAxon mono_mass 416.168247116 ChemAxon smiles OCC1(O)COC(OCC2OC(OCCC3=CC=CC=C3)C(O)C(O)C2O)C1O ChemAxon formula C19H28O10 ChemAxon inchi InChI=1S/C19H28O10/c20-9-19(25)10-28-18(16(19)24)27-8-12-13(21)14(22)15(23)17(29-12)26-7-6-11-4-2-1-3-5-11/h1-5,12-18,20-25H,6-10H2 ChemAxon inchikey GZSQKOFXMZDKPV-UHFFFAOYSA-N ChemAxon polar_surface_area 158.3 ChemAxon refractivity 96.71 ChemAxon polarizability 42.01 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1324147 Specdb::MsMs 1324148 Specdb::MsMs 1324149 Specdb::MsMs 1438510 Specdb::MsMs 1438511 Specdb::MsMs 1438512 Specdb::MsMs 3606583 Specdb::MsMs 3606584 Specdb::MsMs 3606585 Specdb::MsMs 3607594 Specdb::MsMs 3607595 Specdb::MsMs 3607596 610952 Anise Type 1 specific Pimpinella anisum 271192 Pomegranate Type 1 specific Punica granatum 22663