Glycoside
GD101215
Name:
NoneFormula:
C19H21O5N6BrSmiles:
CN(C)C(=O)c1cccc(Nc2ncnc3c2nc(Br)n3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Aglycone:
CN(C)C(=O)c1cccc(Nc2ncnc3c2N=C(Br)[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 493.32 | Num_heavy_atoms: | 31 |
| TPSA: | 145.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD42799
Formula: C14H12ON6Br
Smiles:
CN(C)C(=O)c1cccc(Nc2ncnc3c2N=C(Br)[N]3)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 360.19 | Num_heavy_atoms: | 22 |
| TPSA: | 84.58 | NumAromaticRings: | 2 |
