Glycoside
GD036837
Name:
NoneFormula:
C25H18O4N7ClSmiles:
N#Cc1cc(-c2ccc(-c3nn([C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)c4ncnc(N)c34)cc2C#N)ccc1ClAglycone:
N#Cc1cc(-c2ccc(C3=N[N]c4ncnc(N)c43)cc2C#N)ccc1ClSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.21 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 503.91 | Num_heavy_atoms: | 36 |
| TPSA: | 187.12 | NumAromaticRings: | 4 |
Unique Aglycone
AD23231
Formula: C20H9N7Cl
Smiles:
N#Cc1cc(-c2ccc(C3=N[N]c4ncnc(N)c43)cc2C#N)ccc1Cl| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 370.78 | Num_heavy_atoms: | 27 |
| TPSA: | 125.84 | NumAromaticRings: | 3 |
