Glycoside
GD099402
Name:
NoneFormula:
C20H22O8N2SSmiles:
Cc1ccc(S(=O)(=O)Nc2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)cc1C#NAglycone:
Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1C#NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.47 | Num_heavy_atoms: | 31 |
| TPSA: | 169.34 | NumAromaticRings: | 2 |
Unique Aglycone
AD42274
Formula: C14H12O3N2S
Smiles:
Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1C#N| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 288.33 | Num_heavy_atoms: | 20 |
| TPSA: | 90.19 | NumAromaticRings: | 2 |
