CCC(CC)[C@@H](O)CS[C@@H](C)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C
SMILES: CCC(CC)[C@@H](O)CS[C@@H](C)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C

Molecular Processing

Molecular formula
C28H44O3S
Molecular weight
460.72
Exact mass
460.3011
XLogP
5.66
TPSA
60.69
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
0
Saturated rings
2
Aliphatic rings
4
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.786
Molar refractivity
134.54

Supplementary Information

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