1.0 2019-10-16 14:43:49 UTC 2019-10-16 14:43:50 UTC FDB093769 Urolithin c 3-glucuronide C19H16O11 420.326 420.069261335 (2S,3S,4S,5R,6S)-6-({8,9-dihydroxy-6-oxo-6H-benzo[c]chromen-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (2S,3S,4S,5R,6S)-6-({8,9-dihydroxy-6-oxobenzo[c]chromen-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid [H][C@@]1(OC2=CC3=C(C=C2)C2=CC(O)=C(O)C=C2C(=O)O3)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O InChI=1S/C19H16O11/c20-10-4-8-7-2-1-6(3-12(7)29-18(27)9(8)5-11(10)21)28-19-15(24)13(22)14(23)16(30-19)17(25)26/h1-5,13-16,19-24H,(H,25,26)/t13-,14-,15+,16-,19+/m0/s1 DDAQYQCCOWZGDO-KSPMYQCISA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 2-benzopyrans Acetals Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Coumarins and derivatives Heteroaromatic compounds Hexoses Hydrocarbon derivatives Isocoumarins and derivatives Lactones Monocarboxylic acids and derivatives O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyranones and derivatives Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-o-glucuronide 2-benzopyran Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Coumarin Glucuronic acid or derivatives Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxy acid Isocoumarin Lactone Monocarboxylic acid or derivatives Monosaccharide O-glucuronide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenolic glycoside Polyol Pyran Pyranone Secondary alcohol logp 0.60 ALOGPS logs -2.33 ALOGPS solubility 1.97e+00 g/l ALOGPS logp 0.067 ChemAxon pka_strongest_acidic 3.19 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2S,3S,4S,5R,6S)-6-({8,9-dihydroxy-6-oxo-6H-benzo[c]chromen-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid ChemAxon average_mass 420.326 ChemAxon mono_mass 420.069261335 ChemAxon smiles [H][C@@]1(OC2=CC3=C(C=C2)C2=CC(O)=C(O)C=C2C(=O)O3)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O ChemAxon formula C19H16O11 ChemAxon inchi InChI=1S/C19H16O11/c20-10-4-8-7-2-1-6(3-12(7)29-18(27)9(8)5-11(10)21)28-19-15(24)13(22)14(23)16(30-19)17(25)26/h1-5,13-16,19-24H,(H,25,26)/t13-,14-,15+,16-,19+/m0/s1 ChemAxon inchikey DDAQYQCCOWZGDO-KSPMYQCISA-N ChemAxon polar_surface_area 183.21 ChemAxon refractivity 94.89 ChemAxon polarizability 38.92 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 151455 Specdb::MsMs 241072 Specdb::MsMs 241073 Specdb::MsMs 241074 Specdb::MsMs 243127 Specdb::MsMs 243128 Specdb::MsMs 243129 Specdb::MsMs 2741338 Specdb::MsMs 2741339 Specdb::MsMs 2741340 Specdb::MsMs 2940509 Specdb::MsMs 2940510 Specdb::MsMs 2940511 FOBI:030577