Base information
| Cat. No. | |
| CAS No. | 187269-60-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C46H52Na2O16 |
| Molecular Weight | 906.875 |
| Exact Mass | 906.305 |
| XLogP3 | -0.6916 |
| Mr | 218.297 |
| PSA | 279.02 |
| Sequence | - |
| Atom number | 116 |
| Bond number | 119 |
| Ring number | 6 |
| Rotor number | 19 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@H](Oc2ccc(cc2c2cccc(c2)CC(=O)[O-])CCCCCCc2ccc(c(c2)c2cccc(c2)CC(=O)[O-])O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@@H]2O)O)O)[C@H]([C@H]([C@@H]1O)O)O.[Na+].[Na+] |