Glycoside
GD023052
Name:
NoneFormula:
C22H25O4N5Smiles:
CC(C)(C)c1ccc(-c2c(C#N)c3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1Aglycone:
CC(C)(C)c1ccc(C2=C(C#N)c3c(N)ncnc3[N]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 423.47 | Num_heavy_atoms: | 31 |
| TPSA: | 150.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD15551
Formula: C17H16N5
Smiles:
CC(C)(C)c1ccc(C2=C(C#N)c3c(N)ncnc3[N]2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 290.35 | Num_heavy_atoms: | 22 |
| TPSA: | 89.69 | NumAromaticRings: | 2 |
