HuagongsheHuagongshe Chemistry Print Report · For research reference only
Zizyphoiside C
zizyphoiside C · α-L-Arabinopyranoside, (3β,16β,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-3-O-acetyl-6-deoxy-α-L-mannopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→3)- · α-L-Arabinopyranoside, (3β,16β,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-3-O-acetyl-6-deoxy-α-L-mannopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→3)- (9CI)
Identifiers & Physical Properties
| CAS No. | 156408-67-2 |
|---|---|
| Molecular formula | C49H78O18 |
| Average molar mass | 955.1 g/mol |
| Monoisotopic mass | 954.51881563 g/mol |
| SMILES | CC(=O)OC1C(O)C(C)OC(OC2C(O)C(CO)OC(OC3C(O)COC(OC4CCC5(C)C(CCC6(C)C5CCC5C7C(C)(O)CC(C=C(C)C)OC78CC56CO8)C4(C)C)C3O)C2O)C1O |
| InChIKey | DPKBVIDMZOJSPB-UHFFFAOYSA-N |
| PubChem CID | 190837 |
| DTXSID | DTXSID30935437 |
Chemical & Physical Properties
| XLogP | 2.6 |
|---|---|
| Topological polar surface area | 262 |
| Hydrogen bond donors | 8 |
| Hydrogen bond acceptors | 18 |
| Rotatable bonds | 10 |
| Heavy atoms | 67 |
| Formal charge | 0 |
| Complexity | 1,860 |
| Density | 1.38±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 12.68±0.70(Predicted) |