Glycoside
GD054834
Name:
NoneFormula:
C12H15O6N2ClSSmiles:
CN(Cc1cnc(Cl)s1)C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
CNCc1cnc(Cl)s1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 338.77 | Num_heavy_atoms: | 21 |
| TPSA: | 131.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD27902
Formula: C6H7N2ClS
Smiles:
CNCc1cnc(Cl)s1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.64 | Num_heavy_atoms: | 9 |
| TPSA: | 24.92 | NumAromaticRings: | 1 |
