TPCN02260
![[object Object]](../../static/browser_molecular_png/TPCN02260.png)
| Name | Carboxyatractyloside |
| Molecular Formula | C31H46O18S2 |
| Molecular Weight | 770.83 |
| CAS Registry Number | 33286-30-5 |
| 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)(C(=O)O)C4CCC3(C2)C1O |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Iphiona aucheri | Aerial parts | 0.004242% | Phytochemistry 37, 353-355 (1994). | 10.1016/0031-9422(94)85060-7 |
Properties
| HBA | 18 | HBD | 6 |
| HeavyAtoms | 51 | AlogP | 1.12 |
| TPSA | 287.02 | RotatableBonds | 12 |
| FractionCSP3 | 0.84 | Rings | 5 |
| AromaticRings | 0 | AliphaticRings | 5 |