Base information
| Cat. No. | |
| CAS No. | 630-67-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C28H32O9S |
| Molecular Weight | 544.613 |
| Exact Mass | 544.177 |
| XLogP3 | 3.7498 |
| Mr | 136.558 |
| PSA | 163.65 |
| Sequence | - |
| Atom number | 70 |
| Bond number | 74 |
| Ring number | 5 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2([C@H]1CC[C@]2(O)C(=O)COC(=O)c1cccc(c1)S(=O)(=O)O)C)C |
