C[C@H](SCCCC(C)(C)O)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C
SMILES: C[C@H](SCCCC(C)(C)O)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
C27H42O3S
Molecular weight
446.7
Exact mass
446.2855
XLogP
5.41
TPSA
60.69
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
0
Saturated rings
2
Aliphatic rings
4
Stereo centers
7
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
129.99

Supplementary Information

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