Glycoside
GD010731
Name:
NoneFormula:
C18H21O4N6ISmiles:
Nc1ccc(CCNc2ncnc3c2ncn3C2O[C@H](CO)[C@H](O)[C@H]2O)cc1IAglycone:
Nc1ccc(CCNc2ncnc3c2N=C[N]3)cc1ISugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 512.31 | Num_heavy_atoms: | 29 |
| TPSA: | 151.57 | NumAromaticRings: | 3 |
Unique Aglycone
AD08242
Formula: C13H12N6I
Smiles:
Nc1ccc(CCNc2ncnc3c2N=C[N]3)cc1I| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 379.19 | Num_heavy_atoms: | 20 |
| TPSA: | 90.29 | NumAromaticRings: | 2 |
