Glycoside
GD100934
Name:
NoneFormula:
C17H18O5N5BrSmiles:
Cc1ccc(Nc2ncnc3c2nc(Br)n3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1OAglycone:
Cc1ccc(Nc2ncnc3c2N=C(Br)[N]3)cc1OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 452.27 | Num_heavy_atoms: | 28 |
| TPSA: | 145.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD42653
Formula: C12H9ON5Br
Smiles:
Cc1ccc(Nc2ncnc3c2N=C(Br)[N]3)cc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 319.14 | Num_heavy_atoms: | 19 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
