TPCN04384
![[object Object]](../../static/browser_molecular_png/TPCN04384.png)
| Name | Chikusetsusaponin IVa methyl ester |
| Molecular Formula | C43H68O14 |
| Molecular Weight | 809.00 |
| CAS Registry Number | 58546-61-5 |
| SMILES | COC(=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 | 0.001000% | J Nat Prod 79(12): 3079-3085. | 10.1021/acs.jnatprod.6b00748 |
Properties
| HBA | 14 | HBD | 7 |
| HeavyAtoms | 57 | AlogP | 2.50 |
| TPSA | 221.90 | RotatableBonds | 6 |
| FractionCSP3 | 0.91 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |