TPCN05035
![[object Object]](../../static/browser_molecular_png/TPCN05035.png)
| Name | 28-??-D-glucopyranosyl-2??,3??,19??-trihydroxyolean-12-ene-24,28-dioic acid;28-??-D-glucosyl ester of barrinic acid |
| Molecular Formula | C36H56O12 |
| Molecular Weight | 680.83 |
| CAS Registry Number | 159686-20-1 |
| SMILES | CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Fagaceae | Quercus robur | Aerial parts | 0.001100% | Phytochem Anal 13, 305-310 (2002). | 10.1002/pca.658 |
| Rosaceae | Rubus crataegifolius | Roots | 0.000861% | Arch Pharm Res . 2001 Oct;24(5):412-5 | 10.1007/BF02975185 |
Properties
| HBA | 12 | HBD | 8 |
| HeavyAtoms | 48 | AlogP | 1.50 |
| TPSA | 214.44 | RotatableBonds | 4 |
| FractionCSP3 | 0.89 | Rings | 6 |
| AromaticRings | 0 | AliphaticRings | 6 |