Cichorioside I
PubChem CID: 157009827
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Cichorioside I |
|---|---|
| Topological Polar Surface Area | 163.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | POOPERNNBMZLBU-YFVSWLSASA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | (-)-Cichorioside I |
| Heavy Atom Count | 31.0 |
| Compound Name | Cichorioside I |
| Description | Cichorioside i is soluble (in water) and a very weakly acidic compound (based on its pKa). Cichorioside i can be found in endive, which makes cichorioside i 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 | 819.0 |
| 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 | 5.0 |
| Iupac Name | (1S,3aS,8aS,9R,9aS)-9-hydroxy-1,5-dimethyl-8-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,3a,4,8a,9,9a-hexahydroazuleno[6,5-b]furan-2,6-dione |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C21H28O10/c1-7-3-11-14(8(2)20(28)30-11)17(25)15-9(4-10(23)13(7)15)6-29-21-19(27)18(26)16(24)12(5-22)31-21/h4,8,11-12,14-19,21-22,24-27H,3,5-6H2,1-2H3/t8-,11-,12?,14+,15-,16?,17-,18?,19?,21?/m0/s1 |
| Smiles | C[C@H]1[C@@H]2[C@H](CC(=C3[C@@H]([C@H]2O)C(=CC3=O)COC4C(C(C(C(O4)CO)O)O)O)C)OC1=O |
| Xlogp | -2.2 |
| 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