TPCN00279
![[object Object]](../../static/browser_molecular_png/TPCN00279.png)
| Name | Tabernaelegantinine B |
| Molecular Formula | C46H58N4O6 |
| Molecular Weight | 762.99 |
| CAS Registry Number | 58917-02-5 |
| SMILES | CCC1CN(C)C2Cc3c([nH]c4ccccc34)C(c3cc4c5c([nH]c4cc3OC)C3(C(=O)OC)CC4CC(CC)C3N(CC5)C4CC(C)=O)CC1C2C(=O)OC |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apocynaceae | Tabernaemontana bufalina | Aerial parts | 0.000720% | Planta Med, 2018, 84, 1127-1133. | 10.1055/a-0608-4988 |
Properties
| HBA | 10 | HBD | 2 |
| HeavyAtoms | 56 | AlogP | 6.92 |
| TPSA | 116.96 | RotatableBonds | 8 |
| FractionCSP3 | 0.59 | Rings | 10 |
| AromaticRings | 4 | AliphaticRings | 6 |