Glycoside
GD107728
Name:
NoneFormula:
C19H26O12S2Smiles:
CC(=O)O[C@@H]1[C@@H](OC(C)=O)OC(COS(C)(=O)=O)(COS(C)(=O)=O)[C@@H]1OCc1ccccc1Aglycone:
COS(C)(=O)=O.COS(C)(=O)=O.OCc1ccccc1Sugarmoiety:
CC(=O)OC1OC(O)(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.58 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 11 |
| MolWt: | 510.54 | Num_heavy_atoms: | 33 |
| TPSA: | 157.8 | NumAromaticRings: | 1 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
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 |
