Glycoside
GD036682
Name:
NoneFormula:
C17H16O4N6Smiles:
N#Cc1ccc(-c2nn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c3ncnc(N)c23)cc1Aglycone:
N#Cc1ccc(C2=N[N]c3ncnc(N)c32)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 368.35 | Num_heavy_atoms: | 27 |
| TPSA: | 163.33 | NumAromaticRings: | 3 |
Unique Aglycone
AD23134
Formula: C12H7N6
Smiles:
N#Cc1ccc(C2=N[N]c3ncnc(N)c32)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 235.23 | Num_heavy_atoms: | 18 |
| TPSA: | 102.05 | NumAromaticRings: | 2 |
