Base information
| Cat. No. | |
| CAS No. | 162088-92-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C26H31NO16 |
| Molecular Weight | 613.521 |
| Exact Mass | 613.164 |
| XLogP3 | 1.2531 |
| Mr | 138.541 |
| PSA | 214.24 |
| Sequence | - |
| Atom number | 74 |
| Bond number | 76 |
| Ring number | 3 |
| Rotor number | 15 |
| Residues number | 0 |
| Canonical smiles | CC(=O)O[C@H]1[C@@H](CO[C@H]([C@@H]1OC(=O)C)Oc1ccccc1[N+](=O)[O-])O[C@@H]1OC[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C |