Glycoside
GD061658
Name:
NoneFormula:
C14H22O7NSSmiles:
CO[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@H](O)[C@H](O)[C@@H]1[NH3+]Aglycone:
COS(=O)(=O)c1ccc(C)cc1Sugarmoiety:
COC1OC(O)C(O)C(O)C1[NH3+]Other Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 348.4 | Num_heavy_atoms: | 23 |
| TPSA: | 129.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD01798
Formula: C8H10O3S
Smiles:
COS(=O)(=O)c1ccc(C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 186.23 | Num_heavy_atoms: | 12 |
| TPSA: | 43.37 | NumAromaticRings: | 1 |
