Glycoside
GD083986
Name:
NoneFormula:
C14H16O5N5BrSmiles:
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Nc1ccnc(Br)c1Aglycone:
NC(=O)C1=C(Nc2ccnc(Br)c2)[N]C=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 414.22 | Num_heavy_atoms: | 25 |
| TPSA: | 155.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD37465
Formula: C9H7ON5Br
Smiles:
NC(=O)C1=C(Nc2ccnc(Br)c2)[N]C=N1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 281.09 | Num_heavy_atoms: | 16 |
| TPSA: | 94.47 | NumAromaticRings: | 1 |
