Glycoside
GD075934
Name:
NoneFormula:
C13H18O9N2SSmiles:
CS(=O)(=O)c1ccc(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1Aglycone:
CS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 378.36 | Num_heavy_atoms: | 25 |
| TPSA: | 179.46 | NumAromaticRings: | 1 |
Unique Aglycone
AD35144
Formula: C7H8O4N2S
Smiles:
CS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 216.22 | Num_heavy_atoms: | 14 |
| TPSA: | 103.3 | NumAromaticRings: | 1 |
