Glycoside
GD004343
Name:
NoneFormula:
C20H18O7N8Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNc2c(Nc3cccc([N+](=O)[O-])c3)c(=O)c2=O)[C@H](O)[C@H]1OAglycone:
CNc1c(Nc2cccc([N+](=O)[O-])c2)c(=O)c1=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.25 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 482.41 | Num_heavy_atoms: | 35 |
| TPSA: | 220.65 | NumAromaticRings: | 4 |
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 |
AD03805
Formula: C11H9O4N3
Smiles:
CNc1c(Nc2cccc([N+](=O)[O-])c2)c(=O)c1=O| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 247.21 | Num_heavy_atoms: | 18 |
| TPSA: | 101.34 | NumAromaticRings: | 2 |
