Base information
| Cat. No. | |
| CAS No. | 12672-45-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C53H86O22 |
| Molecular Weight | 1075.24 |
| Exact Mass | 1074.56 |
| XLogP3 | -1.3962 |
| Mr | 259.808 |
| PSA | 353.9 |
| Sequence | - |
| Atom number | 161 |
| Bond number | 169 |
| Ring number | 9 |
| Rotor number | 12 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@]34CC[C@@]5(C(=CC[C@H]6[C@@]5(C)CC[C@@H]5[C@]6(C)CC[C@@H]([C@@]5(C)CO)O[C@@H]5OC[C@@H]([C@@H]([C@H]5O)O)O)[C@H]4CC(CC3)(C)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O |
