Glycoside
GD037492
Name:
NoneFormula:
C17H17O4N4BrSmiles:
Nc1ncnc2c([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)cn(-c3ccc(Br)cc3)c12Aglycone:
Nc1ncnc2ccn(-c3ccc(Br)cc3)c12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 421.25 | Num_heavy_atoms: | 26 |
| TPSA: | 126.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD23609
Formula: C12H9N4Br
Smiles:
Nc1ncnc2ccn(-c3ccc(Br)cc3)c12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 289.14 | Num_heavy_atoms: | 17 |
| TPSA: | 56.73 | NumAromaticRings: | 3 |
