Cichorioside K
PubChem CID: 157009829
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Cichorioside K |
|---|---|
| Topological Polar Surface Area | 155.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | SNIHMWOCIZLGDD-YTPJEGOPSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | (+)-Cichorioside K |
| Heavy Atom Count | 31.0 |
| Compound Name | Cichorioside K |
| Description | Cichorioside k is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Cichorioside k can be found in endive, which makes cichorioside k a potential biomarker for the consumption of this food product. |
| Exact Mass | 438.153 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 438.153 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 866.0 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 438.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | (1R,8S,9S,13S)-8-(hydroxymethyl)-12-methylidene-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,14-dioxatetracyclo[6.5.1.01,5.09,13]tetradeca-4,6-dien-3-one |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C21H26O10/c1-9-2-3-12-14(9)21-11(4-5-20(12,8-23)31-21)10(18(27)30-21)7-28-19-17(26)16(25)15(24)13(6-22)29-19/h4-5,12-17,19,22-26H,1-3,6-8H2/t12-,13+,14+,15+,16-,17+,19+,20+,21+/m0/s1 |
| Smiles | C=C1CC[C@H]2[C@@H]1[C@]34C(=C(C(=O)O3)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C=C[C@@]2(O4)CO |
| Xlogp | -2.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C21H26O10 |
- 1. Outgoing r'ship
FOUND_INto/from Cichorium Endivia (Plant) Rel Props:Source_db:fooddb_chem_all