Glycoside
GD058317
Name:
NoneFormula:
C13H18O8SSmiles:
Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H](O)[C@@H](O)O[C@@H](CO)[C@H]2O)cc1Aglycone:
Cc1ccc(S(=O)(=O)O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 334.35 | Num_heavy_atoms: | 22 |
| TPSA: | 133.52 | 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 |
