TPCN04657
![[object Object]](../../static/browser_molecular_png/TPCN04657.png)
| Name | 3-O-??-L-arabinopyranosyl-3??,16??-dihydroxyolean-12-en-23,28-dioic acid 28-O-[??-D-glucopyranosyl-(1??6)]-??-D-glucopyranoside |
| Molecular Formula | C47H74O20 |
| Molecular Weight | 959.09 |
| CAS Registry Number | 1360803-04-8 |
| SMILES | CC1(C)CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Dianthus superbus | Aerial parts | 0.000140% | Chem Pharm Bull (Tokyo) 59(4): 518-521. | 10.1248/cpb.59.518 |
Properties
| HBA | 20 | HBD | 12 |
| HeavyAtoms | 67 | AlogP | -1.18 |
| TPSA | 332.28 | RotatableBonds | 9 |
| FractionCSP3 | 0.91 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |