Cichorioside N
PubChem CID: 157009830
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| Compound Synonyms | Cichorioside N |
|---|---|
| Topological Polar Surface Area | 137.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | PBKSUDBCJRZUBN-SNLBVQBNSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | (+)-Cichorioside N |
| Heavy Atom Count | 30.0 |
| Compound Name | Cichorioside N |
| Description | Cichorioside n is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Cichorioside n can be found in endive, which makes cichorioside n a potential biomarker for the consumption of this food product. |
| Exact Mass | 426.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 426.225 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 693.0 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 426.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 11.0 |
| Iupac Name | (3S,3aR,4S,6S,7R,7aR)-6-ethenyl-4-hydroxy-3,6-dimethyl-7-[(E)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-en-2-yl]-3,3a,4,5,7,7a-hexahydro-1H-inden-2-one |
| Total Atom Stereocenter Count | 11.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C22H34O8/c1-5-22(4)7-14(25)16-11(3)13(24)6-12(16)17(22)10(2)9-29-21-20(28)19(27)18(26)15(8-23)30-21/h5,9,11-12,14-21,23,25-28H,1,6-8H2,2-4H3/b10-9+/t11-,12+,14+,15-,16+,17-,18-,19+,20-,21-,22-/m1/s1 |
| Smiles | C[C@H]1[C@H]2[C@H](CC1=O)[C@H]([C@](C[C@@H]2O)(C)C=C)/C(=C/O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/C |
| Xlogp | 0.7 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C22H34O8 |
- 1. Outgoing r'ship
FOUND_INto/from Cichorium Endivia (Plant) Rel Props:Source_db:fooddb_chem_all