Cichorioside F
PubChem CID: 102476813
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| Compound Synonyms | Cichorioside F |
|---|---|
| Topological Polar Surface Area | 163.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | VPJIBVRZDKWNNF-YHMCHQIZSA-N |
| Rotatable Bond Count | 5.0 |
| State | gas |
| Synonyms | (-)-Cichorioside |
| Heavy Atom Count | 31.0 |
| Compound Name | Cichorioside F |
| Description | 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. |
| Exact Mass | 440.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 440.168 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 834.0 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 440.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | (3S,3aR,4S,9aS,9bR)-9-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-hydroxy-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| 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 |
| Smiles | C[C@H]1[C@@H]2[C@H](CC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO)C)O |
| Xlogp | -1.9 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C21H28O10 |
- 1. Outgoing r'ship
FOUND_INto/from Cichorium Endivia (Plant) Rel Props:Source_db:fooddb_chem_all