Base information
| Cat. No. | |
| CAS No. | 197005-22-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H26O8S |
| Molecular Weight | 438.491 |
| Exact Mass | 438.135 |
| XLogP3 | 2.5013 |
| Mr | 108.898 |
| PSA | 122.66 |
| Sequence | - |
| Atom number | 56 |
| Bond number | 57 |
| Ring number | 2 |
| Rotor number | 12 |
| Residues number | 0 |
| Canonical smiles | C=CCO[C@@H]1[C@@H](OC(=O)C)[C@H](Sc2ccccc2)O[C@@H]([C@H]1OC(=O)C)COC(=O)C |
