Glycoside
GD085893
Name:
NoneFormula:
C12H22O12S2Smiles:
CCOC(=O)O[C@@H](COS(C)(=O)=O)[C@@H](COS(C)(=O)=O)OC(=O)OCCAglycone:
CCOC=O.CCOC=OSugarmoiety:
CS(=O)(=O)OCC(O)C(O)COS(C)(=O)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 11 |
| MolWt: | 422.43 | Num_heavy_atoms: | 26 |
| TPSA: | 157.8 | NumAromaticRings: | 0 |
Unique Aglycone
AD10917
Formula: C3H6O2
Smiles:
CCOC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
