Glycoside
GD078861
Name:
NoneFormula:
C18H18O4N6Smiles:
Cc1cc(Nc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cnc1C#NAglycone:
Cc1cc(Nc2ncnc3c2C=C[N]3)cnc1C#NSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 382.38 | Num_heavy_atoms: | 28 |
| TPSA: | 149.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD36234
Formula: C13H9N6
Smiles:
Cc1cc(Nc2ncnc3c2C=C[N]3)cnc1C#N| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 249.26 | Num_heavy_atoms: | 19 |
| TPSA: | 88.59 | NumAromaticRings: | 2 |
