Base information
| Cat. No. | |
| CAS No. | 62211-03-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C42H36CaO18 |
| Molecular Weight | 868.802 |
| Exact Mass | 868.153 |
| XLogP3 | -0.5774 |
| Mr | 196.656 |
| PSA | 307.5 |
| Sequence | - |
| Atom number | 97 |
| Bond number | 105 |
| Ring number | 9 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1cccc2c1C(=O)c1c3[C@@H]2[C@H]2c4cc(cc(c4C(=O)c4c2cccc4[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)C(=O)O[Ca]OC(=O)c(c3)cc1O |
