Base information
| Cat. No. | |
| CAS No. | 4839-60-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H20O9 |
| Molecular Weight | 416.378 |
| Exact Mass | 416.111 |
| XLogP3 | -0.3453 |
| Mr | 100.883 |
| PSA | 153.75 |
| Sequence | - |
| Atom number | 50 |
| Bond number | 53 |
| Ring number | 4 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@@H](Oc2cc(C)cc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1O)O)O |
