Glycoside
GD075917
Name:
NoneFormula:
C13H15O9N4ClSmiles:
COC(=O)c1nc(Cl)nc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1[N+](=O)[O-]Aglycone:
COC(=O)c1nc(Cl)nc(N)c1[N+](=O)[O-]Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 394.72 | Num_heavy_atoms: | 26 |
| TPSA: | 197.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD35135
Formula: C7H5O4N4Cl
Smiles:
COC(=O)c1nc(Cl)nc(N)c1[N+](=O)[O-]| HBA: | 8 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 232.58 | Num_heavy_atoms: | 15 |
| TPSA: | 121.24 | NumAromaticRings: | 1 |
