SMILES:
COc1ccc(-c2nccc(C)c2OC2SCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1Molecular Processing
Molecular formula
C24H27NO8S
Molecular weight
489.55
Exact mass
489.1457
XLogP
3.31
TPSA
110.25
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
34
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
124.5
Supplementary Information
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