TPCN00314
![[object Object]](../../static/browser_molecular_png/TPCN00314.png)
| Name | Tabernaecorymbosine A |
| Molecular Formula | C44H54N4O6 |
| Molecular Weight | 734.94 |
| CAS Registry Number | 1262306-81-9 |
| SMILES | CC=C1CN(C)C2Cc3c([nH]c4ccccc34)C(c3c(OC)ccc4c5c([nH]c34)C3(C(=O)OC)CC4CC(CC)C3N(CC5)C4)CC1C2(CO)C(=O)OC |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apocynaceae | Tabernaemontana bufalina | Aerial parts | 0.000560% | Planta Med, 2018, 84, 1127-1133. | 10.1055/a-0608-4988 |
Properties
| HBA | 10 | HBD | 3 |
| HeavyAtoms | 54 | AlogP | 5.85 |
| TPSA | 120.12 | RotatableBonds | 6 |
| FractionCSP3 | 0.55 | Rings | 10 |
| AromaticRings | 4 | AliphaticRings | 6 |