Base information
| Cat. No. | |
| CAS No. | 158948-96-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C45H55NO14 |
| Molecular Weight | 833.916 |
| Exact Mass | 833.362 |
| XLogP3 | 3.8589 |
| Mr | 213.479 |
| PSA | 221.29 |
| Sequence | - |
| Atom number | 115 |
| Bond number | 120 |
| Ring number | 6 |
| Rotor number | 16 |
| Residues number | 0 |
| Canonical smiles | CC[C@@H](C(=O)N[C@H]([C@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@@H]([C@]3(C(=O)[C@@H](C(=C1C)C2(C)C)OC(=O)C)C)O)OC(=O)C)O)c1ccccc1)C |
