Base information
| Cat. No. | |
| CAS No. | 210108-85-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C36H45NO13 |
| Molecular Weight | 699.741 |
| Exact Mass | 699.289 |
| XLogP3 | 3.7932 |
| Mr | 176.185 |
| PSA | 187.76 |
| Sequence | - |
| Atom number | 95 |
| Bond number | 97 |
| Ring number | 3 |
| Rotor number | 13 |
| Residues number | 0 |
| Canonical smiles | CC(=O)O[C@@H]1C[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C/[C@H](C(=O)[C@@]2([C@@H]([C@H](C1=C)OC(=O)C)[C@@H](OC(=O)C)[C@](C2)(C)OC(=O)C)OC(=O)C)C |
