Glycoside
GD097156
Name:
NoneFormula:
C16H15O7N5Cl2SSmiles:
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1NS(=O)(=O)c1cnc(Cl)c(Cl)c1Aglycone:
NC(=O)C1=C(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)[N]C=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 468.28 | Num_heavy_atoms: | 29 |
| TPSA: | 189.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD41302
Formula: C11H6O3N5Cl2S
Smiles:
NC(=O)C1=C(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)[N]C=N1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 335.15 | Num_heavy_atoms: | 20 |
| TPSA: | 128.61 | NumAromaticRings: | 1 |
