TPCN03490
![[object Object]](../../static/browser_molecular_png/TPCN03490.png)
| Name | Xerophilsin B |
| Molecular Formula | C43H58O13 |
| Molecular Weight | 782.92 |
| CAS Registry Number | 2756263-69-9 |
| SMILES | COCC1(CC2C(=O)C34C5OC6OC3(O)C(O)C3C(C)(C)CCCC63C4CCC25)C(=O)C23C4OC5OC2(O)C(O)C2C(C)(C)CCCC52C3C(OC(C)=O)CC41 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Lamiaceae | Isodon xerophilus | Aerial parts | 0.000008% | None | 10.1021/acs.jnatprod.0c00983 |
Properties
| HBA | 13 | HBD | 4 |
| HeavyAtoms | 56 | AlogP | 2.62 |
| TPSA | 187.51 | RotatableBonds | 5 |
| FractionCSP3 | 0.93 | Rings | 16 |
| AromaticRings | 0 | AliphaticRings | 16 |