Glycoside
GD085206
Name:
NoneFormula:
C20H20O5N6Smiles:
C#Cc1ccc(C(=O)n2c(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4OC)c3nc2=N)cc1Aglycone:
C#Cc1ccc(C(=O)n2c(N)c3c(nc2=N)[N]C=N3)cc1Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 424.42 | Num_heavy_atoms: | 31 |
| TPSA: | 161.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD38117
Formula: C14H9ON6
Smiles:
C#Cc1ccc(C(=O)n2c(N)c3c(nc2=N)[N]C=N3)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 277.27 | Num_heavy_atoms: | 21 |
| TPSA: | 111.22 | NumAromaticRings: | 2 |
