TPCN04592
![[object Object]](../../static/browser_molecular_png/TPCN04592.png)
| Name | 3??-[(O-??-D-glucopyranosyl(1??2)-??-L-arabinopyranosyl)oxy]-20??-hydroxyursan-28-oic acid |
| Molecular Formula | C41H68O13 |
| Molecular Weight | 768.98 |
| CAS Registry Number | 1154058-25-9 |
| SMILES | CC1C2C3CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1(C)O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Berberidaceae | Caulophyllum thalictroides | Aerial parts | 0.000213% | J Nat Prod 72(6): 1155-1160. | 10.1021/np900164b |
Properties
| HBA | 13 | HBD | 8 |
| HeavyAtoms | 54 | AlogP | 2.57 |
| TPSA | 215.83 | RotatableBonds | 6 |
| FractionCSP3 | 0.98 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |