Glycoside
GD004445
Name:
NoneFormula:
C12H14O27S8Smiles:
O=S([O-])OC[C@@H]1O[C@H](O[C@@]2(COS(=O)[O-])O[C@H](COS(=O)[O-])[C@H](OS(=O)[O-])[C@H]2OS(=O)[O-])[C@H](OS(=O)[O-])[C@H](OS(=O)[O-])[C@H]1OS(=O)[O-]Aglycone:
COS(=O)[O-].COS(=O)[O-].COS(=O)[O-]Sugarmoiety:
O=S(O)OC1C(O)OC(OC2(O)OC(O)C(OS(=O)O)C2OS(=O)O)C(OS(=O)O)C1OS(=O)OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -6.85 | Num_rotatable_bonds: | 21 |
| MolWt: | 846.75 | Num_heavy_atoms: | 47 |
| TPSA: | 422.57 | NumAromaticRings: | 0 |
Unique Aglycone
AD03882
Formula: CH3O3S
Smiles:
COS(=O)[O-]| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 95.1 | Num_heavy_atoms: | 5 |
| TPSA: | 49.36 | NumAromaticRings: | 0 |
