Glycoside
GD088290
Name:
NoneFormula:
C12H13O7N3ClSBrSmiles:
C[S@](=O)c1nc(Cl)c(Br)c(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)n1Aglycone:
CS(=O)c1nc(N)c(Br)c(Cl)n1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 446.66 | Num_heavy_atoms: | 24 |
| TPSA: | 169.94 | NumAromaticRings: | 1 |
Unique Aglycone
AD38636
Formula: C6H5ON3ClSBr
Smiles:
CS(=O)c1nc(N)c(Br)c(Cl)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.54 | Num_heavy_atoms: | 12 |
| TPSA: | 68.87 | NumAromaticRings: | 1 |
