Glycoside
GD082592
Name:
NoneFormula:
C14H17O9N4ClSmiles:
CCOC(=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:
CCOC(=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: | 0.62 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 408.75 | Num_heavy_atoms: | 27 |
| TPSA: | 197.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD37077
Formula: C8H7O4N4Cl
Smiles:
CCOC(=O)c1nc(Cl)nc(N)c1[N+](=O)[O-]| HBA: | 8 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 246.61 | Num_heavy_atoms: | 16 |
| TPSA: | 121.24 | NumAromaticRings: | 1 |
