1.0 2010-04-08 22:04:56 UTC 2020-02-24 19:10:22 UTC FDB001362 Taraxacoside Constituent of Taraxacum officinale (dandelion). Taraxacoside is found in many foods, some of which are coffee and coffee products, alcoholic beverages, tea, and dandelion. C18H22O10 398.3613 398.121296924 4,5-dihydroxy-2-(hydroxymethyl)-6-[(5-oxooxolan-3-yl)oxy]oxan-3-yl 2-(4-hydroxyphenyl)acetate 4,5-dihydroxy-2-(hydroxymethyl)-6-[(5-oxooxolan-3-yl)oxy]oxan-3-yl 2-(4-hydroxyphenyl)acetate 98449-40-2 OCC1OC(OC2COC(=O)C2)C(O)C(O)C1OC(=O)CC1=CC=C(O)C=C1 InChI=1S/C18H22O10/c19-7-12-17(28-14(22)5-9-1-3-10(20)4-2-9)15(23)16(24)18(27-12)26-11-6-13(21)25-8-11/h1-4,11-12,15-20,23-24H,5-8H2 ZNBBYALXAQXHJE-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 1-hydroxy-2-unsubstituted benzenoids Acetals Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Gamma butyrolactones Hydrocarbon derivatives Monosaccharides Organic oxides Oxacyclic compounds Oxanes Primary alcohols Secondary alcohols Tetrahydrofurans 1-hydroxy-2-unsubstituted benzenoid Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Gamma butyrolactone Hydrocarbon derivative Lactone Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenol Primary alcohol Secondary alcohol Tetrahydrofuran logp -0.46 ALOGPS logs -1.82 ALOGPS solubility 6.10e+00 g/l ALOGPS melting_point Mp 178-180° logp -0.57 ChemAxon pka_strongest_acidic 9.5 ChemAxon pka_strongest_basic -3 ChemAxon iupac 4,5-dihydroxy-2-(hydroxymethyl)-6-[(5-oxooxolan-3-yl)oxy]oxan-3-yl 2-(4-hydroxyphenyl)acetate ChemAxon average_mass 398.3613 ChemAxon mono_mass 398.121296924 ChemAxon smiles OCC1OC(OC2COC(=O)C2)C(O)C(O)C1OC(=O)CC1=CC=C(O)C=C1 ChemAxon formula C18H22O10 ChemAxon inchi InChI=1S/C18H22O10/c19-7-12-17(28-14(22)5-9-1-3-10(20)4-2-9)15(23)16(24)18(27-12)26-11-6-13(21)25-8-11/h1-4,11-12,15-20,23-24H,5-8H2 ChemAxon inchikey ZNBBYALXAQXHJE-UHFFFAOYSA-N ChemAxon polar_surface_area 151.98 ChemAxon refractivity 89.78 ChemAxon polarizability 38.6 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13366 Specdb::CMs 41722 Specdb::CMs 170439 Specdb::MsMs 7547 Specdb::MsMs 7548 Specdb::MsMs 7549 Specdb::MsMs 14219 Specdb::MsMs 14220 Specdb::MsMs 14221 Specdb::MsMs 2661676 Specdb::MsMs 2661677 Specdb::MsMs 2661678 Specdb::MsMs 3019899 Specdb::MsMs 3019900 Specdb::MsMs 3019901 Specdb::NmrOneD 16862 Specdb::NmrOneD 16863 Specdb::NmrOneD 16864 Specdb::NmrOneD 16865 Specdb::NmrOneD 16866 Specdb::NmrOneD 16867 Specdb::NmrOneD 16868 Specdb::NmrOneD 16869 Specdb::NmrOneD 16870 Specdb::NmrOneD 16871 Specdb::NmrOneD 16872 Specdb::NmrOneD 16873 Specdb::NmrOneD 16874 Specdb::NmrOneD 16875 Specdb::NmrOneD 16876 Specdb::NmrOneD 16877 Specdb::NmrOneD 16878 Specdb::NmrOneD 16879 Specdb::NmrOneD 16880 Specdb::NmrOneD 16881 HMDB30055 #<Reference:0x00007f093c053498> Alcoholic beverages Unknown generic Arabica coffee Type 1 specific Coffea arabica 13443 Beverages Unknown generic Black tea Type 1 Coffee and coffee products Unknown generic Dandelion Type 1 specific Taraxacum officinale 50225 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Robusta coffee Type 1 specific Coffea canephora 49390 Tea Type 1 specific Camellia sinensis 4442