Glycoside
GD103446
Name:
NoneFormula:
C17H20O4N6BrSmiles:
Cc1cc(Nc2ncnc3c2nc(Br)n3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc(C)[nH+]1Aglycone:
Cc1cc(Nc2ncnc3c2N=C(Br)[N]3)cc(C)[nH+]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 452.29 | Num_heavy_atoms: | 28 |
| TPSA: | 139.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD43799
Formula: C12H11N6Br
Smiles:
Cc1cc(Nc2ncnc3c2N=C(Br)[N]3)cc(C)[nH+]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 319.17 | Num_heavy_atoms: | 19 |
| TPSA: | 78.41 | NumAromaticRings: | 2 |
