HuagongsheHuagongshe Chemistry Print Report · For research reference only
Pod-II
POD-II · β-D-Galactopyranoside, (3β,25R)-14-hydroxyspirost-5-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)- (9CI)
Identifiers & Physical Properties
| CAS No. | 156928-68-6 |
|---|---|
| Molecular formula | C50H80O23 |
| Average molar mass | 1,049.2 g/mol |
| Monoisotopic mass | 1,048.50903879 g/mol |
| SMILES | CC1CCC2(OC1)OC1CC3(O)C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C |
| InChIKey | BSPJQLDWNQBHGY-UHFFFAOYSA-N |
| PubChem CID | 190860 |
| DTXSID | DTXSID30935573 |
Chemical & Physical Properties
| XLogP | -2.4 |
|---|---|
| Topological polar surface area | 355 |
| Hydrogen bond donors | 13 |
| Hydrogen bond acceptors | 23 |
| Rotatable bonds | 11 |
| Heavy atoms | 73 |
| Formal charge | 0 |
| Complexity | 1,950 |