TPCN02195
![[object Object]](../../static/browser_molecular_png/TPCN02195.png)
| Name | Atractyloside |
| Molecular Formula | C30H46O16S2 |
| Molecular Weight | 726.82 |
| CAS Registry Number | 17754-44-8 |
| SMILES | C=C1C2CCC3C4(C)CC(OC5OC(CO)C(OS(=O)(=O)O)C(OS(=O)(=O)O)C5OC(=O)CC(C)C)CC(C(=O)O)C4CCC3(C2)C1O |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Iphiona aucheri | Aerial parts | 0.008283% | Phytochemistry 37, 353-355 (1994). | 10.1016/0031-9422(94)85060-7 |
Properties
| HBA | 16 | HBD | 5 |
| HeavyAtoms | 48 | AlogP | 1.67 |
| TPSA | 249.72 | RotatableBonds | 11 |
| FractionCSP3 | 0.87 | Rings | 5 |
| AromaticRings | 0 | AliphaticRings | 5 |