Glycoside
GD066124
Name:
NoneFormula:
C13H12O6N3ClSSmiles:
O=C(Nc1ccc(Cl)c2nsnc12)C(=O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
Nc1ccc(Cl)c2nsnc12Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 361.76 | Num_heavy_atoms: | 23 |
| TPSA: | 152.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD31736
Formula: C7H4N3ClS
Smiles:
Nc1ccc(Cl)c2nsnc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 185.64 | Num_heavy_atoms: | 11 |
| TPSA: | 51.8 | NumAromaticRings: | 2 |
