1-O-Caffeoylglycerol
PubChem CID: 5315606
Connections displayed (default: 10).
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| Compound Synonyms | 1-O-Caffeoylglycerol |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 290.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dihydroxypropyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C12H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NOHROAYVCRHDHO-DUXPYHPUSA-N |
| Fcsp3 | 0.25 |
| Logs | -0.337 |
| Rotatable Bond Count | 6.0 |
| Logd | 0.37 |
| Compound Name | 1-O-Caffeoylglycerol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 254.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 254.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.8276422666666665 |
| Inchi | InChI=1S/C12H14O6/c13-6-9(14)7-18-12(17)4-2-8-1-3-10(15)11(16)5-8/h1-5,9,13-16H,6-7H2/b4-2+ |
| Smiles | C1=CC(=C(C=C1/C=C/C(=O)OCC(CO)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients