Glycoside
GD111552
Name:
NoneFormula:
C34H38O14S4Smiles:
Cc1ccc(S(=O)(=O)OC[C@@H](OS(=O)(=O)c2ccc(C)cc2)[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)c2ccc(C)cc2)OS(=O)(=O)c2ccc(C)cc2)cc1Aglycone:
Cc1ccc([S](=O)=O)cc1.Cc1ccc([S](=O)=O)cc1.Cc1ccc([S](=O)=O)cc1.Cc1ccc([S](=O)=O)cc1Sugarmoiety:
OOCC(OO)C(O)C(O)C(COO)OOOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 17 |
| MolWt: | 798.93 | Num_heavy_atoms: | 52 |
| TPSA: | 213.94 | NumAromaticRings: | 4 |
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 |
