HuagongsheHuagongshe Chemistry Print Report · For research reference only
Medicago-saponin P(2)
medicago-saponin P(2) · Olean-12-en-28-oic acid, 3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-16,23-dihydroxy-, β-D-glucopyranosyl ester, (3β,4α,16α)-

Identifiers & Physical Properties
| CAS No. | 158511-58-1 |
|---|---|
| Molecular formula | C47H76O18 |
| Average molar mass | 929.1 g/mol |
| SMILES | C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)[C@@H]4CC=C4[C@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)C[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| InChIKey | TYZMLYSDIVGHLP-UHFFFAOYSA-N |
| PubChem CID | 190921 |
Chemical & Physical Properties
| XLogP | 1.2 |
|---|---|
| Topological polar surface area | 295 |
| Hydrogen bond donors | 11 |
| Hydrogen bond acceptors | 18 |
| Rotatable bonds | 9 |
| Heavy atoms | 65 |
| Formal charge | 0 |
| Complexity | 1,780 |
| Boiling point | 988.412±65.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.430±0.10 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 12.525±0.70(predicted) |