TPCN04649
![[object Object]](../../static/browser_molecular_png/TPCN04649.png)
| Name | Baisanqisaponin A |
| Molecular Formula | C59H90O16 |
| Molecular Weight | 1055.35 |
| CAS Registry Number | 2080376-11-8 |
| SMILES | C=CC(O)C#CC#CCC(O)C(CCCCCCC)OC(=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 | 0.000149% | J Nat Prod 79(12): 3079-3085. | 10.1021/acs.jnatprod.6b00748 |
Properties
| HBA | 16 | HBD | 9 |
| HeavyAtoms | 75 | AlogP | 4.90 |
| TPSA | 262.36 | RotatableBonds | 16 |
| FractionCSP3 | 0.83 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |