Glycoside
GD033092
Name:
NoneFormula:
C21H20O5N7BrSmiles:
Nc1nc(NN=Cc2ccc(-c3ccc(Br)cc3)o2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1nc(NN=Cc2ccc(-c3ccc(Br)cc3)o2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 530.34 | Num_heavy_atoms: | 34 |
| TPSA: | 177.07 | NumAromaticRings: | 4 |
Unique Aglycone
AD21148
Formula: C16H11ON7Br
Smiles:
Nc1nc(NN=Cc2ccc(-c3ccc(Br)cc3)o2)nc2c1N=C[N]2| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 397.22 | Num_heavy_atoms: | 25 |
| TPSA: | 115.79 | NumAromaticRings: | 3 |
