TPCN04491
![[object Object]](../../static/browser_molecular_png/TPCN04491.png)
| Name | Sexangulic acid |
| Molecular Formula | C30H48O4 |
| Molecular Weight | 472.71 |
| CAS Registry Number | 1173885-14-7 |
| SMILES | CC(CCCC(C)(C)O)C1CCC2(C)C3=CCC4C(C)(CCC(O)C4(C)C(=O)O)C3=CCC12C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rhizophoraceae | Bruguiera sexangula | Stems | 0.000455% | Nat Prod Res 24(11): 1044-1049. | 10.1080/14786410902940982 |
Properties
| HBA | 4 | HBD | 3 |
| HeavyAtoms | 34 | AlogP | 6.51 |
| TPSA | 77.76 | RotatableBonds | 6 |
| FractionCSP3 | 0.83 | Rings | 4 |
| AromaticRings | 0 | AliphaticRings | 4 |