Base information
| Cat. No. | |
| CAS No. | 168009-85-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C45H55NO22 |
| Molecular Weight | 961.912 |
| Exact Mass | 961.322 |
| XLogP3 | 0.2869 |
| Mr | 221.552 |
| PSA | 316.35 |
| Sequence | - |
| Atom number | 123 |
| Bond number | 128 |
| Ring number | 6 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | COC(=O)CC1C(=O)OC[C@@]23[C@H](OC(=O)C)[C@H](OC(=O)C(CCC1=O)C)[C@@H]1[C@H]([C@]43O[C@@]1(C)COC(=O)c1c(C(C(C(=O)O[C@@H]([C@@H]([C@@H]2OC(=O)C)OC(=O)C)[C@]4(C)O)(C)O)C)ccnc1)OC(=O)C |
