aloin
| SMILES | C1=CC2=C(C(=C1)O)C(=O)C3=C(C2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C(C=C3O)CO |
| InChIKey | AFHJQYHRLPMKHU-CGISPIQUSA-N |
Chemical properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 7 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 418.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |