Glycoside
GD028300
Name:
NoneFormula:
C19H17O4N7F3ClSmiles:
Nc1nc(NN=Cc2ccc(Cl)c(C(F)(F)F)c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1nc(NN=Cc2ccc(Cl)c(C(F)(F)F)c2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 487.83 | Num_heavy_atoms: | 33 |
| TPSA: | 163.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD18511
Formula: C14H8N7F3Cl
Smiles:
Nc1nc(NN=Cc2ccc(Cl)c(C(F)(F)F)c2)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 354.7 | Num_heavy_atoms: | 24 |
| TPSA: | 102.65 | NumAromaticRings: | 2 |
