TPCN03492
![[object Object]](../../static/browser_molecular_png/TPCN03492.png)
| Name | Xerophilsin D |
| Molecular Formula | C42H54O12 |
| Molecular Weight | 750.88 |
| CAS Registry Number | 2756371-75-0 |
| SMILES | CC(=O)OC1CC2C3OC4OC5(O)C(O)C6C(C)(C)CCCC46C1C35C(=O)C21CCC2=C(O1)C13C4OC5OC1(O)C(O)C1C(C)(C)CCCC51C3CCC24 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Lamiaceae | Isodon xerophilus | Aerial parts | 0.000008% | None | 10.1021/acs.jnatprod.0c00983 |
Properties
| HBA | 12 | HBD | 4 |
| HeavyAtoms | 54 | AlogP | 3.21 |
| TPSA | 170.44 | RotatableBonds | 1 |
| FractionCSP3 | 0.90 | Rings | 17 |
| AromaticRings | 0 | AliphaticRings | 17 |