Base information
| Cat. No. | |
| CAS No. | 521-45-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H22O7 |
| Molecular Weight | 386.395 |
| Exact Mass | 386.137 |
| XLogP3 | 3.2889 |
| Mr | 105.875 |
| PSA | 120.36 |
| Sequence | - |
| Atom number | 50 |
| Bond number | 52 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)c1oc2c(CCC(O)(C)C)c(O)cc(c2c(=O)c1O)O |
