TPCN05006
![[object Object]](../../static/browser_molecular_png/TPCN05006.png)
| Name | Inermiside I |
| Molecular Formula | C47H76O17 |
| Molecular Weight | 913.11 |
| CAS Registry Number | 487050-21-5 |
| SMILES | CC1OC(OC(=O)C23CCC4=C(CCC5C4(C)CCC4C(C)(C)C(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC54C)C2CC(C)(C)CC3)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rubiaceae | Mitragyna inermis | Barks | 0.001600% | Phytochemistry 61, 379-382 (2002) | 10.1016/s0031-9422(02)00244-3 |
Properties
| HBA | 17 | HBD | 10 |
| HeavyAtoms | 64 | AlogP | 0.92 |
| TPSA | 274.75 | RotatableBonds | 8 |
| FractionCSP3 | 0.94 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |