Base information
| Cat. No. | |
| CAS No. | 854756-74-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C47H60N4O9S |
| Molecular Weight | 857.066 |
| Exact Mass | 856.408 |
| XLogP3 | 4.6536 |
| Mr | 244.245 |
| PSA | 179.4 |
| Sequence | - |
| Atom number | 121 |
| Bond number | 129 |
| Ring number | 9 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | COC(=O)[C@@]1(C[C@H]2CN(CCc3c1[nH]c1c3cc(cc1)SC)C[C@](C2)(O)CC)c1cc2c(cc1OC)N([C@@H]1[C@@]32CCN2[C@H]3[C@@](CC)(C=CC2)[C@H]([C@]1(O)C(=O)OC)OC(=O)C)C |
