TPCN05505
![[object Object]](../../static/browser_molecular_png/TPCN05505.png)
| Name | (R)-(+)-Ligulaodonin A |
| Molecular Formula | C22H22O7 |
| Molecular Weight | 398.41 |
| CAS Registry Number | 943725-95-9 |
| SMILES | COc1cc2c(cc1OC)C(=O)CC(C)(c1cc3cc(OC)c(OC)cc3o1)O2 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Ligularia odontomanes | Whole plants | 0.000375% | Chem Pharm Bull (Tokyo). 2007. 55, 577-579. | 10.1248/cpb.55.577 |
Properties
| HBA | 7 | HBD | 0 |
| HeavyAtoms | 29 | AlogP | 4.35 |
| TPSA | 76.36 | RotatableBonds | 5 |
| FractionCSP3 | 0.32 | Rings | 4 |
| AromaticRings | 3 | AliphaticRings | 1 |