Glycoside
GD024900
Name:
NoneFormula:
C19H19O4N5Smiles:
Cc1ccc(-c2c(C#N)c3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1Aglycone:
Cc1ccc(C2=C(C#N)c3c(N)ncnc3[N]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 381.39 | Num_heavy_atoms: | 28 |
| TPSA: | 150.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD16574
Formula: C14H10N5
Smiles:
Cc1ccc(C2=C(C#N)c3c(N)ncnc3[N]2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 248.27 | Num_heavy_atoms: | 19 |
| TPSA: | 89.69 | NumAromaticRings: | 2 |
