Glycoside
GD099217
Name:
NoneFormula:
C20H26O10S2Smiles:
Cc1ccc(S(=O)(=O)O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H](CO)OS(=O)(=O)c2ccc(C)cc2)cc1Aglycone:
Cc1ccc([S](=O)=O)cc1.Cc1ccc([S](=O)=O)cc1Sugarmoiety:
OCC(OO)C(O)C(O)C(CO)OOOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 11 |
| MolWt: | 490.55 | Num_heavy_atoms: | 32 |
| TPSA: | 167.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD00423
Formula: C7H7O2S
Smiles:
Cc1ccc([S](=O)=O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 155.2 | Num_heavy_atoms: | 10 |
| TPSA: | 34.14 | NumAromaticRings: | 1 |
