TPCN06118
![[object Object]](../../static/browser_molecular_png/TPCN06118.png)
| Name | 28-O-??-D-glucopyranosyl-16??-hydroxy-23-deoxyprotobassic acid |
| Molecular Formula | C36H58O11 |
| Molecular Weight | 666.85 |
| CAS Registry Number | 248280-02-6 |
| SMILES | CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5C(O)CC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rubiaceae | Mussaenda macrophylla | Aerial parts | 0.000750% | J Nat Prod . 1999 Oct;62(10):1379-84 | 10.1021/np9901579 |
Properties
| HBA | 11 | HBD | 8 |
| HeavyAtoms | 47 | AlogP | 1.40 |
| TPSA | 197.37 | RotatableBonds | 3 |
| FractionCSP3 | 0.92 | Rings | 6 |
| AromaticRings | 0 | AliphaticRings | 6 |