Glycoside
GD025611
Name:
NoneFormula:
C17H17O4N6BrSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)c2cccc(Br)c2)[C@H](O)[C@H]1OAglycone:
CNC(=O)c1cccc(Br)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 449.27 | Num_heavy_atoms: | 28 |
| TPSA: | 148.41 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD16961
Formula: C8H8ONBr
Smiles:
CNC(=O)c1cccc(Br)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 214.06 | Num_heavy_atoms: | 11 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
