Glycoside
GD133266
Name:
NoneFormula:
C17H19O7N8BrSmiles:
N=c1nc(O)c2nc(NN=Cc3ccc(Br)c([NH+]([O-])O)c3)n(C3OC(CO)C(O)C3O)c2[nH]1Aglycone:
N=c1nc(O)c2c([nH]1)[N]C(NN=Cc1ccc(Br)c([NH+]([O-])O)c1)=N2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.29 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 527.29 | Num_heavy_atoms: | 33 |
| TPSA: | 232.62 | NumAromaticRings: | 3 |
Unique Aglycone
AD53943
Formula: C12H10O3N8Br
Smiles:
N=c1nc(O)c2c([nH]1)[N]C(NN=Cc1ccc(Br)c([NH+]([O-])O)c1)=N2| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 394.17 | Num_heavy_atoms: | 24 |
| TPSA: | 171.34 | NumAromaticRings: | 2 |
