TPCN04582
![[object Object]](../../static/browser_molecular_png/TPCN04582.png)
| Name | 28-desglucosylchikusetsusaponin IVa butyl ester |
| Molecular Formula | C40H64O9 |
| Molecular Weight | 688.94 |
| CAS Registry Number | 164990-95-8 |
| SMILES | CCCCOC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)C)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Araliaceae | Panax japonicus | Roots | 0.000224% | J Nat Prod 79(12): 3079-3085. | 10.1021/acs.jnatprod.6b00748 |
Properties
| HBA | 9 | HBD | 4 |
| HeavyAtoms | 49 | AlogP | 6.41 |
| TPSA | 142.75 | RotatableBonds | 7 |
| FractionCSP3 | 0.90 | Rings | 6 |
| AromaticRings | 0 | AliphaticRings | 6 |