Glycoside
GD008425
Name:
NoneFormula:
C20H18O5N5F3Smiles:
CONc1nc(C#Cc2cccc(C(F)(F)F)c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CONc1nc(C#Cc2cccc(C(F)(F)F)c2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 465.39 | Num_heavy_atoms: | 33 |
| TPSA: | 134.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD06729
Formula: C15H9ON5F3
Smiles:
CONc1nc(C#Cc2cccc(C(F)(F)F)c2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.27 | Num_heavy_atoms: | 24 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
