Glycoside
GD048838
Name:
NoneFormula:
C12H14O6NClSSmiles:
O=C(NCc1sccc1Cl)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
NCc1sccc1ClSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 323.75 | Num_heavy_atoms: | 20 |
| TPSA: | 127.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD25984
Formula: C6H6NClS
Smiles:
NCc1sccc1Cl| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 1 |
| MolWt: | 147.63 | Num_heavy_atoms: | 8 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
