| ID | 3458 |
| Name | Ukrain |
| Pubchem ID | 160028 |
| KEGG ID | N/A |
| Source | Chelidonium majus |
| Type | Natural |
| Function | Anticancer |
| Drug Like Properties | No |
| Molecular Weight | 1252.35 |
| Exact mass | 1251.451398 |
| Molecular formula | C66H72N6O15PS+3 |
| XlogP | 6.2 |
| Topological Polar Surface Area | 208 |
| H-Bond Donor | 6 |
| H-Bond Acceptor | 18 |
| Rotational Bond Count | 12 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | C[N+]1(CC2=C(C=CC3=C2OCO3)C4C1C5=CC6=C(C=C5CC4O)OCO6)CCNP(=S)(NCC[N+]7(CC8=C(C=CC9=C8OCO9)C1C7C2=CC3=C(C=C2CC1O)OCO3)C)NCC[N+]1(CC2=C(C=CC3=C2OCO3)C2C1C1=CC3=C(C=C1CC2O)OCO3)C |
| Isomeric SMILE | C[N+]1(CC2=C(C=CC3=C2OCO3)[C@@H]4[C@H]1C5=CC6=C(C=C5C[C@@H]4O)OCO6)CCNP(=S)(NCC[N+]7(CC8=C(C=CC9=C8OCO9)[C@@H]1[C@H]7C2=CC3=C(C=C2C[C@@H]1O)OCO3)C)NCC[N+]1(CC2=C(C=CC3=C2OCO3)[C@@H]2[C@H]1C1=CC3=C(C=C1C[C@@H]2O)OCO3)C |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |