TPCN04417
![[object Object]](../../static/browser_molecular_png/TPCN04417.png)
| Name | 3??-[(O-??-D-glucopyranosy1-(1??2)-??-L-arabinopyranosyl)oxy]-16??-hydroxyolean-12-en-28-oicacid |
| Molecular Formula | C41H66O13 |
| Molecular Weight | 766.97 |
| CAS Registry Number | 160663-98-9 |
| SMILES | CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Berberidaceae | Caulophyllum thalictroides | Aerial parts | 0.000758% | J Nat Prod 72(6): 1155-1160. | 10.1021/np900164b |
Properties
| HBA | 13 | HBD | 8 |
| HeavyAtoms | 54 | AlogP | 2.49 |
| TPSA | 215.83 | RotatableBonds | 6 |
| FractionCSP3 | 0.93 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |