SMILES:
CC(=O)OCC1OC(SCCCCCCOC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OMolecular Processing
Molecular formula
C47H76O10S
Molecular weight
833.18
Exact mass
832.5159
XLogP
9.79
TPSA
123.66
H-bond donors
0
H-bond acceptors
11
Rotatable bonds
19
Heavy atoms
58
Rings
5
Aromatic rings
0
Saturated rings
4
Aliphatic rings
5
Stereo centers
13
Undefined stereo
13
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.872
Molar refractivity
225.67
Supplementary Information
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