Glycoside
GD102613
Name:
NoneFormula:
C19H18O4N6FClSSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NC(=S)NCc4ccc(F)cc4)nc(Cl)nc32)[C@H](O)[C@@H]1OAglycone:
Fc1ccc(CNC(=S)Nc2nc(Cl)nc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 468.9 | Num_heavy_atoms: | 31 |
| TPSA: | 137.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD43441
Formula: C14H9N6FClS
Smiles:
Fc1ccc(CNC(=S)Nc2nc(Cl)nc3c2N=C[N]3)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 335.78 | Num_heavy_atoms: | 22 |
| TPSA: | 76.3 | NumAromaticRings: | 2 |
