Glycoside
GD102389
Name:
NoneFormula:
C22H29O9NSSmiles:
COc1cc(C)c(S(=O)(=O)Nc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)c(C)c1CAglycone:
COc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2)c(C)c1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 483.54 | Num_heavy_atoms: | 33 |
| TPSA: | 154.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD43331
Formula: C16H19O4NS
Smiles:
COc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2)c(C)c1C| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 3.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 321.4 | Num_heavy_atoms: | 22 |
| TPSA: | 75.63 | NumAromaticRings: | 2 |
