Glycoside
GD037579
Name:
NoneFormula:
C16H18O4N4Smiles:
Nc1ncnc2c1c(C#CC1CC1)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1C(C#CC1CC1)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 2 |
| MolWt: | 330.34 | Num_heavy_atoms: | 24 |
| TPSA: | 126.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD23654
Formula: C11H9N4
Smiles:
Nc1ncnc2c1C(C#CC1CC1)=C[N]2| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 197.22 | Num_heavy_atoms: | 15 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
