CID 11603911
PubChem CID: 11603911
Connections displayed (default: 10).
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| Topological Polar Surface Area | 71.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 718.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Prediction Hob | 0.0 |
| Xlogp | 3.3 |
| Molecular Formula | C23H36O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GDSNRTJTRDXNIY-QXFPIHOVSA-N |
| Fcsp3 | 0.9130434782608696 |
| Logs | -4.415 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.046 |
| Compound Name | CID 11603911 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 408.251 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 408.251 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 408.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.260217000000002 |
| Inchi | InChI=1S/C23H36O6/c1-15(24)28-21(5)17(25)12-16-19(2,3)8-7-9-20(16,4)23(21)11-10-22(29-23)13-18(26-6)27-14-22/h16,18H,7-14H2,1-6H3/t16-,18-,20-,21-,22-,23-/m0/s1 |
| Smiles | CC(=O)O[C@]1(C(=O)C[C@@H]2[C@@]([C@@]13CC[C@]4(O3)C[C@H](OC4)OC)(CCCC2(C)C)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Leonurus Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients