TPCN04620
![[object Object]](../../static/browser_molecular_png/TPCN04620.png)
| Name | Chikusetsusaponin IVa ethyl ester |
| Molecular Formula | C44H70O14 |
| Molecular Weight | 823.03 |
| CAS Registry Number | 96158-06-4 |
| SMILES | CCOC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(CO)C(O)C(O)C5O)CCC34C)C2(C)C)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Araliaceae | Panax japonicus | Roots | 0.000179% | J Nat Prod 79(12): 3079-3085. | 10.1021/acs.jnatprod.6b00748 |
Properties
| HBA | 14 | HBD | 7 |
| HeavyAtoms | 58 | AlogP | 2.89 |
| TPSA | 221.90 | RotatableBonds | 7 |
| FractionCSP3 | 0.91 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |