1.0 2010-04-08 22:05:07 UTC 2019-11-26 02:56:40 UTC FDB001798 Cichorioside F Cichorioside f is a member of the class of compounds known as C-glycosyl compounds. C-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. Cichorioside f is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Cichorioside f can be found in endive, which makes cichorioside f a potential biomarker for the consumption of this food product. (-)-Cichorioside C21H28O10 440.441 440.168247116 (3S,3aR,4S,9aS,9bR)-9-({[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-4-hydroxy-3,6-dimethyl-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-2,7-dione (3S,3aR,4S,9aS,9bR)-9-({[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-4-hydroxy-3,6-dimethyl-3H,3aH,4H,5H,9aH,9bH-azuleno[4,5-b]furan-2,7-dione 1086489-72-6 [H][C@]12OC(=O)[C@@H](C)[C@]1([H])[C@@H](O)CC(C)=C1C(=O)C=C(CO[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@]21[H] InChI=1S/C21H28O10/c1-8-3-11(24)15-9(2)20(28)30-18(15)16-10(4-12(25)14(8)16)6-29-21(7-23)19(27)17(26)13(5-22)31-21/h4,9,11,13,15-19,22-24,26-27H,3,5-7H2,1-2H3/t9-,11-,13+,15+,16-,17+,18-,19-,21+/m0/s1 VPJIBVRZDKWNNF-YHMCHQIZSA-N belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. C-glycosyl compounds Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteropolycyclic compounds Carboxylic acid esters Gamma butyrolactones Hydrocarbon derivatives Ketals Ketones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Pentoses Primary alcohols Secondary alcohols Tetrahydrofurans Acetal Alcohol Aliphatic heteropolycyclic compound C-glycosyl compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Gamma butyrolactone Hydrocarbon derivative Ketal Ketone Lactone Monocarboxylic acid or derivatives Monosaccharide Organic oxide Organoheterocyclic compound Oxacycle Pentose monosaccharide Primary alcohol Secondary alcohol Tetrahydrofuran gas logp -0.77 ALOGPS logs -1.73 ALOGPS solubility 8.18e+00 g/l ALOGPS logp -1.8 ChemAxon pka_strongest_acidic 12.06 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac (3S,3aR,4S,9aS,9bR)-9-({[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-4-hydroxy-3,6-dimethyl-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-2,7-dione ChemAxon average_mass 440.441 ChemAxon mono_mass 440.168247116 ChemAxon smiles [H][C@]12OC(=O)[C@@H](C)[C@]1([H])[C@@H](O)CC(C)=C1C(=O)C=C(CO[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@]21[H] ChemAxon formula C21H28O10 ChemAxon inchi InChI=1S/C21H28O10/c1-8-3-11(24)15-9(2)20(28)30-18(15)16-10(4-12(25)14(8)16)6-29-21(7-23)19(27)17(26)13(5-22)31-21/h4,9,11,13,15-19,22-24,26-27H,3,5-7H2,1-2H3/t9-,11-,13+,15+,16-,17+,18-,19-,21+/m0/s1 ChemAxon inchikey VPJIBVRZDKWNNF-YHMCHQIZSA-N ChemAxon polar_surface_area 162.98 ChemAxon refractivity 104.91 ChemAxon polarizability 44.07 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 64869 Specdb::MsMs 64870 Specdb::MsMs 64871 Specdb::MsMs 122148 Specdb::MsMs 122149 Specdb::MsMs 122150 Specdb::MsMs 3598525 Specdb::MsMs 3598526 Specdb::MsMs 3598527 Specdb::MsMs 3598528 Specdb::MsMs 3598529 Specdb::MsMs 3598530 Endive Type 1 specific Cichorium endivia 114280