Glycoside
GD100833
Name:
NoneFormula:
C18H16O6N4FClSSmiles:
O=S(=O)(Nc1ncnc2c1c(F)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccc(Cl)cc1Aglycone:
O=S(=O)(Nc1ncnc2c1C(F)=C[N]2)c1ccc(Cl)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 458.86 | Num_heavy_atoms: | 30 |
| TPSA: | 146.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD42598
Formula: C13H7O2N4FClS
Smiles:
O=S(=O)(Nc1ncnc2c1C(F)=C[N]2)c1ccc(Cl)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 325.73 | Num_heavy_atoms: | 21 |
| TPSA: | 86.05 | NumAromaticRings: | 2 |
