Glycoside
GD021025
Name:
NoneFormula:
C14H16O4N4Smiles:
C#Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c2ncnc(NC)c12Aglycone:
C#CC1=C[N]c2ncnc(NC)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 304.31 | Num_heavy_atoms: | 22 |
| TPSA: | 112.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD14428
Formula: C9H7N4
Smiles:
C#CC1=C[N]c2ncnc(NC)c21| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 171.18 | Num_heavy_atoms: | 13 |
| TPSA: | 51.91 | NumAromaticRings: | 1 |
