TPCN05338
![[object Object]](../../static/browser_molecular_png/TPCN05338.png)
| Name | 3fl-hydroxyolean-12-en-23-oxo-28-oic acid 28-O-[fl-Oglucopyranosyl-(1 -~ 2)-fl-o-galactopyranosyl-(1 ~ 3)][fl-o-glucopyranosyl(1 -~ 6)] fl-o-galactopyranoside |
| Molecular Formula | C54H86O24 |
| Molecular Weight | 1119.26 |
| CAS Registry Number | 165752-98-7 |
| SMILES | CC1(C)CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C3O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Urticaceae | Gypsophila capillaris | Whole plants | 0.003600% | Phytochemistry. 1995. 38, 1481-1485. | 10.1016/0031-9422(94)00900-e |
Properties
| HBA | 24 | HBD | 14 |
| HeavyAtoms | 78 | AlogP | -2.86 |
| TPSA | 391.20 | RotatableBonds | 13 |
| FractionCSP3 | 0.93 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |