21-Methoxy-5,7,17-trioxahexacyclo[12.8.0.01,18.02,10.04,8.016,18]docosa-2,4(8),9,19-tetraene
PubChem CID: 5316026
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 40.2 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 576.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 21-methoxy-5,7,17-trioxahexacyclo[12.8.0.01,18.02,10.04,8.016,18]docosa-2,4(8),9,19-tetraene |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C20H22O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FHKVPQGVMJYBPM-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -5.006 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.005 |
| Compound Name | 21-Methoxy-5,7,17-trioxahexacyclo[12.8.0.01,18.02,10.04,8.016,18]docosa-2,4(8),9,19-tetraene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 326.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 326.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.080530400000001 |
| Inchi | InChI=1S/C20H22O4/c1-21-14-5-6-20-18(24-20)8-13-4-2-3-12-7-16-17(23-11-22-16)9-15(12)19(13,20)10-14/h5-7,9,13-14,18H,2-4,8,10-11H2,1H3 |
| Smiles | COC1CC23C(CCCC4=CC5=C(C=C42)OCO5)CC6C3(O6)C=C1 |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cephalotaxus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients