TPCN01088
![[object Object]](../../static/browser_molecular_png/TPCN01088.png)
| Name | Ligulamulienin A |
| Molecular Formula | C29H42O4 |
| Molecular Weight | 454.65 |
| CAS Registry Number | 1252574-89-2 |
| SMILES | CC(=O)C1=C(Oc2oc3c(c2C)CC2(C)C(C)CCCC2C3O)CC2CCCC(C)C2(C)C1 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Ligularia muliensis | Subterraneous stems | 0.002632% | Chem Pharm Bull (Tokyo) 58(4): 467-469.(2010) | 10.1248/cpb.58.467 |
Properties
| HBA | 4 | HBD | 1 |
| HeavyAtoms | 33 | AlogP | 7.08 |
| TPSA | 59.67 | RotatableBonds | 3 |
| FractionCSP3 | 0.76 | Rings | 5 |
| AromaticRings | 1 | AliphaticRings | 4 |