Glycoside
GD100759
Name:
NoneFormula:
C20H20O7N5ClSSmiles:
CC(=O)Nc1ccc(S(=O)(=O)Nc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(Cl)c1Aglycone:
CC(=O)Nc1ccc(S(=O)(=O)Nc2ncnc3c2C=C[N]3)c(Cl)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 6 |
| MolWt: | 497.92 | Num_heavy_atoms: | 33 |
| TPSA: | 175.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD42555
Formula: C15H11O3N5ClS
Smiles:
CC(=O)Nc1ccc(S(=O)(=O)Nc2ncnc3c2C=C[N]3)c(Cl)c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 364.79 | Num_heavy_atoms: | 24 |
| TPSA: | 115.15 | NumAromaticRings: | 2 |
