Glycoside
GD106166
Name:
NoneFormula:
C24H38O23S4Smiles:
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@](COS(C)(=O)=O)(O[C@H]2O[C@@H](COS(C)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OS(C)(=O)=O)O[C@@H]1COS(C)(=O)=OAglycone:
COS(C)(=O)=O.COS(C)(=O)=O.COS(C)(=O)=O.CS(=O)(=O)OSugarmoiety:
CC(=O)OC1C(O)OC(OC2(O)OC(O)C(OC(C)=O)C2OC(C)=O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | -3.18 | Num_rotatable_bonds: | 17 |
| MolWt: | 822.81 | Num_heavy_atoms: | 51 |
| TPSA: | 306.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD00013
Formula: CH4O3S
Smiles:
CS(=O)(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 96.11 | Num_heavy_atoms: | 5 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
AD02567
Formula: C2H6O3S
Smiles:
COS(C)(=O)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.13 | Num_heavy_atoms: | 6 |
| TPSA: | 43.37 | NumAromaticRings: | 0 |
