Glycoside
GD036687
Name:
NoneFormula:
C12H12O4N4ClBrSmiles:
Nc1nc(Cl)c2c(Br)cn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
Nc1nc(Cl)c2c(n1)[N]C=C2BrSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 379.6 | Num_heavy_atoms: | 21 |
| TPSA: | 126.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD23138
Formula: C7H3N4ClBr
Smiles:
Nc1nc(Cl)c2c(n1)[N]C=C2Br| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 246.47 | Num_heavy_atoms: | 12 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
