TPCN05439
![[object Object]](../../static/browser_molecular_png/TPCN05439.png)
| Name | ??-D-Glucopyranoside, (3??,21??,22??)-3-[(O-??-L-arabinopyranosyl-(1??4)-O-[??-D-galactopyranosyl-(1??2)]-??-D-xylopyranosyl)oxy]-21,22-dihydroxyolean-12-en-28-yl (ACI) |
| Molecular Formula | C52H86O22 |
| Molecular Weight | 1063.24 |
| CAS Registry Number | 2109789-86-6 |
| SMILES | CC1(C)CC2C3=CCC4C5(C)CCC(OC6OCC(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 | 22 | HBD | 14 |
| HeavyAtoms | 74 | AlogP | -2.34 |
| TPSA | 357.06 | RotatableBonds | 11 |
| FractionCSP3 | 0.96 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |