TPCN00364
![[object Object]](../../static/browser_molecular_png/TPCN00364.png)
| Name | Tabernaelegantine B |
| Molecular Formula | C43H54N4O5 |
| Molecular Weight | 706.93 |
| CAS Registry Number | 58850-42-3 |
| SMILES | CCC1CN(C)C2Cc3c([nH]c4ccccc34)C(c3cc4c5c([nH]c4cc3OC)C3(C(=O)OC)CC4CC(CC)C3N(CC5)C4)CC1C2C(=O)OC |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apocynaceae | Tabernaemontana bufalina | Aerial parts | 0.000420% | Planta Med, 2018, 84, 1127-1133. | 10.1055/a-0608-4988 |
Properties
| HBA | 9 | HBD | 2 |
| HeavyAtoms | 52 | AlogP | 6.57 |
| TPSA | 99.89 | RotatableBonds | 6 |
| FractionCSP3 | 0.58 | Rings | 10 |
| AromaticRings | 4 | AliphaticRings | 6 |