TPCN04616
![[object Object]](../../static/browser_molecular_png/TPCN04616.png)
| Name | 3-O-??-D-glucopyranosyl gypsogenic acid 28-O-[??-D-6-O((3S)-3-hydroxyl-3-methylglutaryl)glucopyranosyl(1??6)]-??-D-glucopyranoside |
| Molecular Formula | C54H84O24 |
| Molecular Weight | 1117.24 |
| CAS Registry Number | 1360803-02-6 |
| SMILES | CC1(C)CCC2(C(=O)OC3OC(COC4OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(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 | 0.000180% | Chem Pharm Bull (Tokyo) 59(4): 518-521. | 10.1248/cpb.59.518 |
Properties
| HBA | 24 | HBD | 13 |
| HeavyAtoms | 78 | AlogP | -0.63 |
| TPSA | 395.88 | RotatableBonds | 15 |
| FractionCSP3 | 0.89 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |