TPCN04519
![[object Object]](../../static/browser_molecular_png/TPCN04519.png)
| Name | 3-O-[6-O-malonylfl-o-glucopyranosyl(1 ??>2)-/3-o-glucopyranosyl (1 ??*3)]-/3-c-fucopyranoside;Chikusetsusaponin IVa butyl ester |
| Molecular Formula | C46H74O14 |
| Molecular Weight | 851.08 |
| CAS Registry Number | 164990-98-1 |
| SMILES | CCCCOC(=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 |
|---|---|---|---|---|---|
| Apiaceae | Bupleurum fruticosum | Roots | 0.063636% | Planta Med. 1994. 60, 163-167. | 10.1055/s-2006-959442. |
| Araliaceae | Panax japonicus | Roots | 0.000373% | J Nat Prod 79(12): 3079-3085. | 10.1021/acs.jnatprod.6b00748 |
Properties
| HBA | 14 | HBD | 7 |
| HeavyAtoms | 60 | AlogP | 3.67 |
| TPSA | 221.90 | RotatableBonds | 9 |
| FractionCSP3 | 0.91 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |