Base information
| Cat. No. | |
| CAS No. | 77228-71-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C31H46O18S2 |
| Molecular Weight | 770.816 |
| Exact Mass | 770.213 |
| XLogP3 | 3.2834 |
| Mr | 171.871 |
| PSA | 303.78 |
| Sequence | - |
| Atom number | 97 |
| Bond number | 101 |
| Ring number | 5 |
| Rotor number | 13 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@@H](O[C@@H]2CC(C(=O)O)(C(=O)O)[C@@H]3[C@](C2)(C)[C@@H]2CC[C@@H]4C[C@@]2(CC3)[C@@H](O)C4=C)[C@@H]([C@H]([C@@H]1OS(=O)(=O)O)OS(=O)(=O)O)OC(=O)CC(C)C |
