Glycoside
GD103879
Name:
NoneFormula:
C17H19O4N6BrSmiles:
N#CC1CCC(=Nc2ncnc3c2nc(Br)n3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1Aglycone:
N#CC1CCC(=Nc2ncnc3c2N=C(Br)[N]3)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.59 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 451.28 | Num_heavy_atoms: | 28 |
| TPSA: | 149.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD43916
Formula: C12H10N6Br
Smiles:
N#CC1CCC(=Nc2ncnc3c2N=C(Br)[N]3)CC1| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.16 | Num_heavy_atoms: | 19 |
| TPSA: | 88.39 | NumAromaticRings: | 1 |
