Glycoside
GD103653
Name:
2-(6-amino-8-{2-[(4-bromophenyl)methylidene]hydrazin-1-yl}-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolFormula:
C17H18O4N7BrSmiles:
Nc1ncnc2c1nc(N/N=C/c1ccc(Br)cc1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C(NN=Cc1ccc(Br)cc1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 464.28 | Num_heavy_atoms: | 29 |
| TPSA: | 163.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD43853
Formula: C12H9N7Br
Smiles:
Nc1ncnc2c1N=C(NN=Cc1ccc(Br)cc1)[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 331.16 | Num_heavy_atoms: | 20 |
| TPSA: | 102.65 | NumAromaticRings: | 2 |
