TPCN03491
![[object Object]](../../static/browser_molecular_png/TPCN03491.png)
| Name | Xerophilsin C |
| Molecular Formula | C45H60O15 |
| Molecular Weight | 840.96 |
| CAS Registry Number | 2756370-63-3 |
| SMILES | COCC1(CC2C(=O)C34C5OC6OC3(O)C(O)C3C(C)(C)CCCC63C4C(OC(C)=O)CC25)C(=O)C23C4OC5OC(O)(C6C(C)(C)CCCC56C2C(OC(C)=O)CC41)C3O |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Lamiaceae | Isodon xerophilus | Aerial parts | 0.000009% | None | 10.1021/acs.jnatprod.0c00983 |
Properties
| HBA | 15 | HBD | 4 |
| HeavyAtoms | 60 | AlogP | 2.16 |
| TPSA | 213.81 | RotatableBonds | 6 |
| FractionCSP3 | 0.91 | Rings | 14 |
| AromaticRings | 0 | AliphaticRings | 14 |