Glycoside
GD045107
Name:
NoneFormula:
C9H12O5N4Smiles:
N#Cc1cn(C[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)nn1Aglycone:
Cn1cc(C#N)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -3.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 256.22 | Num_heavy_atoms: | 18 |
| TPSA: | 144.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD25199
Formula: C4H4N4
Smiles:
Cn1cc(C#N)nn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 108.1 | Num_heavy_atoms: | 8 |
| TPSA: | 54.5 | NumAromaticRings: | 1 |
