Glycoside
GD103610
Name:
NoneFormula:
C16H15O6N6BrSmiles:
O=[N+]([O-])c1ccc(Nc2ncnc3c2nc(Br)n3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
O=[N+]([O-])c1ccc(Nc2ncnc3c2N=C(Br)[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 467.24 | Num_heavy_atoms: | 29 |
| TPSA: | 168.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD43833
Formula: C11H6O2N6Br
Smiles:
O=[N+]([O-])c1ccc(Nc2ncnc3c2N=C(Br)[N]3)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 334.11 | Num_heavy_atoms: | 20 |
| TPSA: | 107.41 | NumAromaticRings: | 2 |
