Glycoside
GD050766
Name:
NoneFormula:
C13H18O5N4Smiles:
CCc1nc(C#N)cc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)n1Aglycone:
CCc1nc(N)cc(C#N)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 310.31 | Num_heavy_atoms: | 22 |
| TPSA: | 151.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD26728
Formula: C7H8N4
Smiles:
CCc1nc(N)cc(C#N)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 148.17 | Num_heavy_atoms: | 11 |
| TPSA: | 75.59 | NumAromaticRings: | 1 |
