COC(=O)OC1CC2=CC=C3C4CCC(C(C)CSc5ccccc5)C4(C)CCC3C2(C)C(OC(=O)OC)C1
SMILES: COC(=O)OC1CC2=CC=C3C4CCC(C(C)CSc5ccccc5)C4(C)CCC3C2(C)C(OC(=O)OC)C1

Molecular Processing

Molecular formula
C32H42O6S
Molecular weight
554.75
Exact mass
554.2702
XLogP
7.83
TPSA
71.06
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
39
Rings
5
Aromatic rings
1
Saturated rings
3
Aliphatic rings
4
Stereo centers
8
Undefined stereo
8
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
151.44

Supplementary Information

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