CID 72375971
PubChem CID: 72375971
Connections displayed (default: 10).
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| Topological Polar Surface Area | 58.9 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 520.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Is Pains | False |
| Molecular Formula | C20H34O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UWPOHPPAFURVAJ-QLVFJVLCSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.247 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.191 |
| Compound Name | CID 72375971 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 338.246 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 338.246 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 338.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0932256 |
| Inchi | InChI=1S/C20H34O4/c1-13-12-14(21)15-17(2,3)6-5-7-18(15,4)20(13)9-8-19(24-20)10-11-23-16(19)22/h13-16,21-22H,5-12H2,1-4H3/t13-,14-,15+,16-,18+,19+,20-/m1/s1 |
| Smiles | C[C@@H]1C[C@H]([C@@H]2[C@@]([C@@]13CC[C@]4(O3)CCO[C@H]4O)(CCCC2(C)C)C)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Uncaria Hirsuta (Plant) Rel Props:Source_db:cmaup_ingredients