TPCN04071
![[object Object]](../../static/browser_molecular_png/TPCN04071.png)
| Name | Bodinioside E |
| Molecular Formula | C42H68O17 |
| Molecular Weight | 844.99 |
| CAS Registry Number | 2456369-74-5 |
| SMILES | CC(=O)C(C)CCC1(C(=O)OC2OC(CO)C(O)C(O)C2O)C=C2C(O)CC3C4(C)CC(O)C(OC5OC(CO)C(O)C(O)C5O)C(C)(CO)C4CCC3(C)C2(C)CC1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Lamiaceae | Elsholtzia bodinieri | Aerial parts | 0.000091% | Nat Prod Res, 2020, 1-9. | 10.1080/14786419.2020.1721489 |
Properties
| HBA | 17 | HBD | 11 |
| HeavyAtoms | 59 | AlogP | -1.20 |
| TPSA | 293.59 | RotatableBonds | 11 |
| FractionCSP3 | 0.90 | Rings | 6 |
| AromaticRings | 0 | AliphaticRings | 6 |