Glycoside
GD052548
Name:
NoneFormula:
C14H20O6SSmiles:
CO[C@@H]1C[C@H](O)[C@@H](OS(=O)(=O)c2ccc(C)cc2)[C@H](C)O1Aglycone:
Cc1ccc(S(=O)(=O)O)cc1Sugarmoiety:
COC1CC(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 316.38 | Num_heavy_atoms: | 21 |
| TPSA: | 82.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD00419
Formula: C7H8O3S
Smiles:
Cc1ccc(S(=O)(=O)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 172.21 | Num_heavy_atoms: | 11 |
| TPSA: | 54.37 | NumAromaticRings: | 1 |
