Base information
| Cat. No. | |
| CAS No. | 139459-55-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C28H41N3O18 |
| Molecular Weight | 707.634 |
| Exact Mass | 707.239 |
| XLogP3 | -3.9855 |
| Mr | 157.084 |
| PSA | 321.24 |
| Sequence | - |
| Atom number | 90 |
| Bond number | 93 |
| Ring number | 4 |
| Rotor number | 14 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3NC(=O)C)O)O)O[C@@H]([C@@H]2NC(=O)C)Oc2ccc(cc2)[N+](=O)[O-])[C@@H]([C@H]([C@H]1O)O)O |