Glycoside
GD033586
Name:
NoneFormula:
C18H17O4N6FSSmiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(NC)nc(C#Cc4ccc(F)s4)nc32)[C@H](O)[C@H]1OAglycone:
CNc1nc(C#Cc2ccc(F)s2)nc2c1N=C[N]2Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 432.44 | Num_heavy_atoms: | 30 |
| TPSA: | 134.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD21423
Formula: C12H7N5FS
Smiles:
CNc1nc(C#Cc2ccc(F)s2)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.29 | Num_heavy_atoms: | 19 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
