TPCN06179
![[object Object]](../../static/browser_molecular_png/TPCN06179.png)
| Name | Hederagenin-3-O-(3-O-acetyl-??-D-xylopyranosyl)-(1 ?? 3)-??-L-rhamnopyranosyl-(1??2)-??-L-rabinopyranoside |
| Molecular Formula | C48H76O17 |
| Molecular Weight | 925.12 |
| CAS Registry Number | 104494-27-1 |
| SMILES | CC(=O)OC1C(O)COC(OC2C(O)C(C)OC(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(C(=O)O)CCC56C)C4(C)CO)OCC(O)C3O)C2O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Sapindaceae | Sapindus saponaria | Fruits | 0.000364% | Phytochemistry . 2008 May;69(7):1609-16 | 10.1016/j.phytochem.2007.10.033 |
Properties
| HBA | 17 | HBD | 8 |
| HeavyAtoms | 65 | AlogP | 2.56 |
| TPSA | 260.59 | RotatableBonds | 9 |
| FractionCSP3 | 0.92 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |