Glycoside
GD092426
Name:
NoneFormula:
C21H22O5N6Smiles:
N#Cc1cccc([C@@H]2CN(c3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)CCO2)c1Aglycone:
N#Cc1cccc(C2CN(c3ncnc4c3N=C[N]4)CCO2)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 438.44 | Num_heavy_atoms: | 32 |
| TPSA: | 149.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD40327
Formula: C16H13ON6
Smiles:
N#Cc1cccc(C2CN(c3ncnc4c3N=C[N]4)CCO2)c1| HBA: | 7 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 305.32 | Num_heavy_atoms: | 23 |
| TPSA: | 88.5 | NumAromaticRings: | 2 |
