Glycoside
GD016879
Name:
NoneFormula:
C15H20O8N4S2Smiles:
NS(=O)(=O)c1ccc(-n2cc(C[S+]([O-])[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1Aglycone:
NS(=O)(=O)c1ccc(-n2cc(C[S+][O-])nn2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | -3.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.48 | Num_heavy_atoms: | 29 |
| TPSA: | 204.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD08025
Formula: C9H9O3N4S2
Smiles:
NS(=O)(=O)c1ccc(-n2cc(C[S+][O-])nn2)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 285.33 | Num_heavy_atoms: | 18 |
| TPSA: | 113.93 | NumAromaticRings: | 2 |
