Chakanoside I
PubChem CID: 91412699
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| Compound Synonyms | Chakanoside I, 1-phenyl-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyethanone, 1-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethanone, 1075184-15-4 |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | CJQCIXJPXYAJCU-RKQHYHRCSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | Phenacyl beta-D-glucopyranoside |
| Heavy Atom Count | 21.0 |
| Compound Name | Chakanoside I |
| Description | Chakanoside i is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Chakanoside i is soluble (in water) and a very weakly acidic compound (based on its pKa). Chakanoside i can be found in tea, which makes chakanoside i a potential biomarker for the consumption of this food product. |
| Exact Mass | 298.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.105 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 342.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 298.29 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | 1-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethanone |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C14H18O7/c15-6-10-11(17)12(18)13(19)14(21-10)20-7-9(16)8-4-2-1-3-5-8/h1-5,10-15,17-19H,6-7H2/t10-,11-,12+,13-,14-/m1/s1 |
| Smiles | C1=CC=C(C=C1)C(=O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| Xlogp | -0.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C14H18O7 |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all