TPCN00399
![[object Object]](../../static/browser_molecular_png/TPCN00399.png)
| Name | Gelseganines D |
| Molecular Formula | C29H34N2O8 |
| Molecular Weight | 538.60 |
| CAS Registry Number | 1095492-45-7 |
| SMILES | CCC(=O)C1=CC2OCC1C(NC=C1C(=O)OC3C(O)C(C)C(CO)C13)CC21C(=O)N(OC)c2ccccc21 |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Loganiaceae | Gelsemium elegans | Aerial parts | 0.000356% | Chem Asian J, 2008, 3, 1824-1829. | 10.1002/asia.200800021 |
Properties
| HBA | 10 | HBD | 3 |
| HeavyAtoms | 39 | AlogP | 1.16 |
| TPSA | 134.63 | RotatableBonds | 6 |
| FractionCSP3 | 0.55 | Rings | 7 |
| AromaticRings | 1 | AliphaticRings | 6 |