CID 162934658
PubChem CID: 162934658
Connections displayed (default: 10).
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| Topological Polar Surface Area | 61.8 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 723.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C23H30O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WIOGVNILWQDVPU-DFANHVCBSA-N |
| Fcsp3 | 0.5217391304347826 |
| Logs | -4.015 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.482 |
| Compound Name | CID 162934658 |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 386.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 386.209 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 386.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.6768256000000004 |
| Inchi | InChI=1S/C23H30O5/c1-6-7-11-21(27-17(4)24)20-14-26-23(28-18(5)25)22-16(3)10-8-9-15(2)12-13-19(20)22/h7,9,14,19,21-23H,1,3,8,10-13H2,2,4-5H3/b15-9+/t19-,21+,22+,23-/m1/s1 |
| Smiles | C/C/1=C\CCC(=C)[C@H]2[C@H](CC1)C(=CO[C@@H]2OC(=O)C)[C@H](CC=C=C)OC(=O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Thalictrum Delavayi (Plant) Rel Props:Source_db:cmaup_ingredients