Glycoside
GD017444
Name:
NoneFormula:
C18H18O5N5BrSmiles:
NC(=O)c1c(-c2ccc(Br)cc2)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c2ncnc(N)c12Aglycone:
NC(=O)C1=C(c2ccc(Br)cc2)[N]c2ncnc(N)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.28 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 464.28 | Num_heavy_atoms: | 29 |
| TPSA: | 169.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD12441
Formula: C13H9ON5Br
Smiles:
NC(=O)C1=C(c2ccc(Br)cc2)[N]c2ncnc(N)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 2 |
| MolWt: | 331.15 | Num_heavy_atoms: | 20 |
| TPSA: | 108.99 | NumAromaticRings: | 2 |
