TPCN05608
![[object Object]](../../static/browser_molecular_png/TPCN05608.png)
| Name | Chikusetsusaponin V methyl ester |
| Molecular Formula | C49H78O19 |
| Molecular Weight | 971.14 |
| CAS Registry Number | 34291-22-0 |
| 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(OC2OC(CO)C(O)C(O)C2O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Aquifoliaceae | Ilex rotunda | Barks | 0.000083% | Fitoterapia. 2015. 101, 19-26. | 10.1016/j.fitote.2014.11.007 |
Properties
| HBA | 19 | HBD | 10 |
| HeavyAtoms | 68 | AlogP | 0.32 |
| TPSA | 301.05 | RotatableBonds | 9 |
| FractionCSP3 | 0.92 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |