Glycoside
GD090133
Name:
NoneFormula:
C17H16O6N5ClSSmiles:
O=S(=O)(Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc(Cl)cc1Aglycone:
O=S(=O)(Nc1ncnc2c1N=C[N]2)c1ccc(Cl)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 441.85 | Num_heavy_atoms: | 29 |
| TPSA: | 159.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD39205
Formula: C12H7O2N5ClS
Smiles:
O=S(=O)(Nc1ncnc2c1N=C[N]2)c1ccc(Cl)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 3 |
| MolWt: | 308.73 | Num_heavy_atoms: | 20 |
| TPSA: | 98.41 | NumAromaticRings: | 2 |
