COCOC1C(S(C)=O)C2CCC13CCC1C(C)(C(=O)O)CCCC1(C)C3C2
SMILES: COCOC1C(S(C)=O)C2CCC13CCC1C(C)(C(=O)O)CCCC1(C)C3C2

Molecular Processing

Molecular formula
C22H36O5S
Molecular weight
412.59
Exact mass
412.2283
XLogP
3.83
TPSA
72.83
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28
Rings
5
Aromatic rings
0
Saturated rings
5
Aliphatic rings
5
Stereo centers
9
Undefined stereo
9
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.955
Molar refractivity
108.29

Supplementary Information

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