Glycoside
GD076500
Name:
NoneFormula:
C16H25O8NSSmiles:
COc1cc(C)c(S(=O)(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)c(C)c1CAglycone:
COc1cc(C)c(S(N)(=O)=O)c(C)c1CSugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 9 |
| MolWt: | 391.44 | Num_heavy_atoms: | 26 |
| TPSA: | 153.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD34690
Formula: C10H15O3NS
Smiles:
COc1cc(C)c(S(N)(=O)=O)c(C)c1C| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 229.3 | Num_heavy_atoms: | 15 |
| TPSA: | 69.39 | NumAromaticRings: | 1 |
