TPCN01733
![[object Object]](../../static/browser_molecular_png/TPCN01733.png)
| Name | Tagitinin A |
| Molecular Formula | C19H28O7 |
| Molecular Weight | 368.43 |
| CAS Registry Number | 59979-61-2 |
| SMILES | C=C1C(=O)OC2CC(C)C3(O)CC(O)C(C)(CC(OC(=O)C(C)C)C12)O3 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Tithonia diversifolia | Leaves | 0.000162% | Molecules 19(5): 6070-6079.(2014) | 10.3390/molecules19056070 |
Properties
| HBA | 7 | HBD | 2 |
| HeavyAtoms | 26 | AlogP | 1.31 |
| TPSA | 102.29 | RotatableBonds | 2 |
| FractionCSP3 | 0.79 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |