Glycoside
GD099248
Name:
NoneFormula:
C20H22O9N2SSmiles:
COc1ccc(C#N)c(S(=O)(=O)Nc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)c1Aglycone:
COc1ccc(C#N)c(S(=O)(=O)Nc2ccc(O)cc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 466.47 | Num_heavy_atoms: | 32 |
| TPSA: | 178.57 | NumAromaticRings: | 2 |
Unique Aglycone
AD42221
Formula: C14H12O4N2S
Smiles:
COc1ccc(C#N)c(S(=O)(=O)Nc2ccc(O)cc2)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 304.33 | Num_heavy_atoms: | 21 |
| TPSA: | 99.42 | NumAromaticRings: | 2 |
