Glycoside
GD028487
Name:
NoneFormula:
C19H18O4N5FSSmiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(NC)cc(C#Cc4ccc(F)s4)nc32)[C@H](O)[C@H]1OAglycone:
CNc1cc(C#Cc2ccc(F)s2)nc2c1N=C[N]2Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 431.45 | Num_heavy_atoms: | 30 |
| TPSA: | 121.53 | NumAromaticRings: | 3 |
Unique Aglycone
AD18600
Formula: C13H8N4FS
Smiles:
CNc1cc(C#Cc2ccc(F)s2)nc2c1N=C[N]2| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 271.3 | Num_heavy_atoms: | 19 |
| TPSA: | 51.38 | NumAromaticRings: | 2 |
