Gentiside K
PubChem CID: 46899165
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Gentiside K, CHEMBL1254507, tetracosyl 2,3-dihydroxybenzoate, Tetracosyl 2,3-dihydroxybenzoic acid |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 467.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetracosyl 2,3-dihydroxybenzoate |
| Prediction Hob | 0.0 |
| Xlogp | 15.1 |
| Molecular Formula | C31H54O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GYCLAVXWKNBJIC-UHFFFAOYSA-N |
| Fcsp3 | 0.7741935483870968 |
| Logs | -5.048 |
| Rotatable Bond Count | 25.0 |
| Logd | 4.377 |
| Compound Name | Gentiside K |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 490.402 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 490.402 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 490.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -10.878924942857143 |
| Inchi | InChI=1S/C31H54O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-35-31(34)28-25-24-26-29(32)30(28)33/h24-26,32-33H,2-23,27H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C1=C(C(=CC=C1)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Abies Pinsapo (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aglaia Argentea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Alstonia Spatulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Antirrhinum Majus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Artemisia Campestris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Erythrina Senegalensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Gentiana Rigescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Podocarpus Hallii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Sphenoclea Zeylanica (Plant) Rel Props:Source_db:npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Strychnos Aculeata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all