TPCN03748
![[object Object]](../../static/browser_molecular_png/TPCN03748.png)
| Name | 16-O-acetyl-21-O-angeloyltheasapogenol A 3-O-[beta-D-galactopyranosyl(1 --> 2)][beta-D-xylopyranosyl(1 --> 2)-alpha-L-arabinopyranosyl (1 --> 3)]-beta-D-glucopyranosiduronic acid |
| Molecular Formula | C59H92O27 |
| Molecular Weight | 1233.36 |
| CAS Registry Number | 1007089-76-0 |
| SMILES | CC=C(C)C(=O)OC1C(O)C2(CO)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rosaceae | Aronia melanocarpa | Seedling | 0.000833% | J Asian Nat Prod Res, 2007, 9, 365-372. | 10.1080/10286020600727806 |
Properties
| HBA | 27 | HBD | 14 |
| HeavyAtoms | 86 | AlogP | -2.22 |
| TPSA | 426.73 | RotatableBonds | 15 |
| FractionCSP3 | 0.88 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |