CID 102427309
PubChem CID: 102427309
Connections displayed (default: 10).
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| Topological Polar Surface Area | 76.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 589.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C20H32O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DLRAPJNZWMSBAN-SLPHXCNMSA-N |
| Fcsp3 | 0.95 |
| Logs | -2.568 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.17 |
| Compound Name | CID 102427309 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 352.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.225 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 352.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6507202000000003 |
| Inchi | InChI=1S/C20H32O5/c1-12-14(22)15(23)16-17(2,3)6-5-7-18(16,4)20(12)9-8-19(25-20)10-13(21)24-11-19/h12-13,15-16,21,23H,5-11H2,1-4H3/t12-,13?,15-,16+,18+,19-,20-/m1/s1 |
| Smiles | C[C@@H]1C(=O)[C@H]([C@@H]2[C@@]([C@@]13CC[C@@]4(O3)CC(OC4)O)(CCCC2(C)C)C)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Leonurus Persicus (Plant) Rel Props:Source_db:cmaup_ingredients