Glycoside
GD101207
Name:
NoneFormula:
C17H17O5N6BrSmiles:
NC(=O)c1ccc(Nc2ncnc3c2nc(Br)n3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
NC(=O)c1ccc(Nc2ncnc3c2N=C(Br)[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 465.26 | Num_heavy_atoms: | 29 |
| TPSA: | 168.64 | NumAromaticRings: | 3 |
Unique Aglycone
AD42793
Formula: C12H8ON6Br
Smiles:
NC(=O)c1ccc(Nc2ncnc3c2N=C(Br)[N]3)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.14 | Num_heavy_atoms: | 20 |
| TPSA: | 107.36 | NumAromaticRings: | 2 |
