Gentiside C
PubChem CID: 46899083
Connections displayed (default: 10).
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| Compound Synonyms | Gentiside C, ((14S)-14-methylhexadecyl) 2,3-dihydroxybenzoate, [(14S)-14-methylhexadecyl] 2,3-dihydroxybenzoate, CHEMBL1254184 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 385.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(14S)-14-methylhexadecyl] 2,3-dihydroxybenzoate |
| Prediction Hob | 0.0 |
| Xlogp | 9.6 |
| Molecular Formula | C24H40O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XGXUFBAHOWHDNU-FQEVSTJZSA-N |
| Fcsp3 | 0.7083333333333334 |
| Logs | -4.314 |
| Rotatable Bond Count | 17.0 |
| Logd | 4.384 |
| Compound Name | Gentiside C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 392.293 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 392.293 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 392.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.371167428571428 |
| Inchi | InChI=1S/C24H40O4/c1-3-20(2)16-13-11-9-7-5-4-6-8-10-12-14-19-28-24(27)21-17-15-18-22(25)23(21)26/h15,17-18,20,25-26H,3-14,16,19H2,1-2H3/t20-/m0/s1 |
| Smiles | CC[C@H](C)CCCCCCCCCCCCCOC(=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