| ID | 1104 |
| Name | Alangiside |
| Pubchem ID | 442161 |
| KEGG ID | C09330 |
| Source | Alangium lamarckii |
| Type | Natural |
| Function | Anthelmintic |
| Drug Like Properties | No |
| Molecular Weight | 505.51 |
| Exact mass | 505.194796 |
| Molecular formula | C25H31NO10 |
| XlogP | -0.1 |
| Topological Polar Surface Area | 158 |
| H-Bond Donor | 5 |
| H-Bond Acceptor | 10 |
| Rotational Bond Count | 5 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | COC1=C(C=C2C3CC4C(C(OC=C4C(=O)N3CCC2=C1)OC5C(C(C(C(O5)CO)O)O)O)C=C)O |
| Isomeric SMILE | COC1=C(C=C2[C@H]3C[C@H]4[C@H]([C@@H](OC=C4C(=O)N3CCC2=C1)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C=C)O |
| Drugpedia | wiki |
| References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |