Glycoside
GD061680
Name:
NoneFormula:
C14H20O8SSmiles:
CO[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1OS(=O)(=O)c1ccc(C)cc1Aglycone:
Cc1ccc(S(=O)(=O)O)cc1Sugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 348.37 | Num_heavy_atoms: | 23 |
| TPSA: | 122.52 | 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 |
