Base information
| Cat. No. | |
| CAS No. | 11116-31-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C55H84N17O21S3+ |
| Molecular Weight | 1415.55 |
| Exact Mass | 1414.52 |
| XLogP3 | -1.9758 |
| Mr | 335.851 |
| PSA | 708.85 |
| Sequence | - |
| Atom number | 180 |
| Bond number | 185 |
| Ring number | 6 |
| Rotor number | 41 |
| Residues number | 0 |
| Canonical smiles | OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCC[S+](C)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O |
