Glycoside
GD050964
Name:
NoneFormula:
C13H14O5N4Smiles:
N#Cc1cnc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(C#N)c1Aglycone:
N#Cc1cnc(N)c(C#N)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 306.28 | Num_heavy_atoms: | 22 |
| TPSA: | 162.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD26791
Formula: C7H4N4
Smiles:
N#Cc1cnc(N)c(C#N)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 0 |
| MolWt: | 144.14 | Num_heavy_atoms: | 11 |
| TPSA: | 86.49 | NumAromaticRings: | 1 |
