Glycoside
GD100769
Name:
NoneFormula:
C20H19O7N4ClSSmiles:
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1NS(=O)(=O)c1cccc2c(Cl)cccc12Aglycone:
NC(=O)C1=C(NS(=O)(=O)c2cccc3c(Cl)cccc23)[N]C=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.26 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 482.9 | Num_heavy_atoms: | 32 |
| TPSA: | 177.0 | NumAromaticRings: | 3 |
Unique Aglycone
AD42562
Formula: C15H10O3N4ClS
Smiles:
NC(=O)C1=C(NS(=O)(=O)c2cccc3c(Cl)cccc23)[N]C=N1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 349.78 | Num_heavy_atoms: | 23 |
| TPSA: | 115.72 | NumAromaticRings: | 2 |
