Cc1cc(OCCCS(C)(=O)=O)cc(CO)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1
SMILES: Cc1cc(OCCCS(C)(=O)=O)cc(CO)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1

Molecular Processing

Molecular formula
C29H32O8S
Molecular weight
540.63
Exact mass
540.1818
XLogP
4.5
TPSA
119.36
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.345
Molar refractivity
143.62

Supplementary Information

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