Base information
| Cat. No. | |
| CAS No. | 94168-98-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C44H60N4O12 |
| Molecular Weight | 836.967 |
| Exact Mass | 836.421 |
| XLogP3 | 5.9862 |
| Mr | 234.105 |
| PSA | 229.27 |
| Sequence | - |
| Atom number | 120 |
| Bond number | 123 |
| Ring number | 4 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2c(O)c(/C=N/N=C(\N(CC)CC)/C)c(c(c2c(c3C)O)O)NC(=O)/C(=C\C=C\[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C |
