TPCN05438
![[object Object]](../../static/browser_molecular_png/TPCN05438.png)
| Name | ??-D-Glucopyranoside, (3??,21??,22??)-28-(??-D-glucopyranosyloxy)-21,22-dihydroxyolean-12-en-3-yl O-??-L-arabinopyranosyl-(1??4)-O-[??-D-galactopyranosyl-(1??2)]- (ACI) |
| Molecular Formula | C53H88O23 |
| Molecular Weight | 1093.26 |
| CAS Registry Number | 2109782-26-3 |
| SMILES | CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2(COC2OC(CO)C(O)C(O)C2O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Biebersteiniaceae | Billia rosea | Seeds | 0.000794% | Phytochemistry. 2017. 141, 105-113. | 10.1016/j.phytochem.2017.04.023 |
Properties
| HBA | 23 | HBD | 15 |
| HeavyAtoms | 76 | AlogP | -2.98 |
| TPSA | 377.29 | RotatableBonds | 12 |
| FractionCSP3 | 0.96 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |