Glycoside
GD069762
Name:
NoneFormula:
C12H14O9N2SSmiles:
O=[N+]([O-])c1ccc(S[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1Aglycone:
O=[N+]([O-])c1ccc(S)c([N+](=O)[O-])c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 362.32 | Num_heavy_atoms: | 24 |
| TPSA: | 176.43 | NumAromaticRings: | 1 |
Unique Aglycone
AD33066
Formula: C6H4O4N2S
Smiles:
O=[N+]([O-])c1ccc(S)c([N+](=O)[O-])c1| HBA: | 6 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 2 |
| MolWt: | 200.17 | Num_heavy_atoms: | 13 |
| TPSA: | 86.28 | NumAromaticRings: | 1 |
