TPCN05365
| Name | 3-O-??-D-galactopyranosyl-(1 ?? 2)-[??-D-xylopyranosyl-(1 ?? 3)]-??-D-glucuronopyranosylgypsogenin 28-O-??-Dxylopyranosyl-(1 ?? 3)-??-D-xylopyranosyl-(1 ?? 4)-??-L-rhamnopyranosyl-(1 ?? 2)-[(4-O-acetyl)-??-D-quinovopyranosyl-(1 ?? 4)]-??-D-fucopyranosyl ester |
| Molecular Formula | C77H120O40 |
| Molecular Weight | 1685.77 |
| CAS Registry Number | 1605299-41-9 |
| SMILES | CC(=O)OC1C(C)OC(OC2C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C=O)C6CCC5(C)C3(C)CC4)C(OC3OC(C)C(OC4OCC(O)C(OC5OCC(O)C(O)C5O)C4O)C(O)C3O)C2O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Crassulaceae | Acanthophyllum glandulosum | Roots | 0.002400% | Planta Med. 2016. 82, 1553-1557. | 10.1055/s-0042-110575 |
Properties
| HBA | 40 | HBD | 19 |
| HeavyAtoms | 117 | AlogP | -5.90 |
| TPSA | 609.56 | RotatableBonds | 20 |
| FractionCSP3 | 0.92 | Rings | 13 |
| AromaticRings | 0 | AliphaticRings | 13 |