Glycoside
GD025345
Name:
NoneFormula:
C13H18O11N4SSmiles:
NS(=O)(=O)c1cc(NC(=O)N[C@@H]2C(O)O[C@H](CO)[C@H](O)[C@H]2O)c(O)c([N+](=O)[O-])c1Aglycone:
NC(=O)Nc1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | -3.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 438.37 | Num_heavy_atoms: | 29 |
| TPSA: | 254.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD16819
Formula: C7H8O6N4S
Smiles:
NC(=O)Nc1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1O| HBA: | 10 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 276.23 | Num_heavy_atoms: | 18 |
| TPSA: | 178.65 | NumAromaticRings: | 1 |
