Glycoside
GD089461
Name:
NoneFormula:
C16H22O4N6BrSmiles:
C[N@@H+]1CCC/C(=N\c2ncnc3c2nc(Br)n3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1Aglycone:
C[NH+]1CCCC(=Nc2ncnc3c2N=C(Br)[N]3)C1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 442.29 | Num_heavy_atoms: | 27 |
| TPSA: | 130.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD39024
Formula: C11H13N6Br
Smiles:
C[NH+]1CCCC(=Nc2ncnc3c2N=C(Br)[N]3)C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 309.17 | Num_heavy_atoms: | 18 |
| TPSA: | 69.04 | NumAromaticRings: | 1 |
