Glycoside
GD004448
Name:
NoneFormula:
C22H30O14N4SSmiles:
NS(=O)(=O)c1ccc(C(=O)OCc2cn([C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)cc1Aglycone:
NS(=O)(=O)c1ccc(C(=O)OCC2=C[N]N=N2)cc1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.59 |
| AlogP: | -4.92 | Num_rotatable_bonds: | 9 |
| MolWt: | 606.56 | Num_heavy_atoms: | 41 |
| TPSA: | 286.47 | NumAromaticRings: | 2 |
Unique Aglycone
AD00701
Formula: C10H9O4N4S
Smiles:
NS(=O)(=O)c1ccc(C(=O)OCC2=C[N]N=N2)cc1| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 281.27 | Num_heavy_atoms: | 19 |
| TPSA: | 125.28 | NumAromaticRings: | 1 |
