SMILES:
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.Cc1ccc(S(=O)(=O)[O-])cc1Molecular Processing
Molecular formula
C35H51O4S-
Molecular weight
567.86
Exact mass
567.3514
XLogP
8.23
TPSA
77.43
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
40
Rings
5
Aromatic rings
1
Saturated rings
3
Aliphatic rings
4
Stereo centers
8
Undefined stereo
0
Formal charge
-1
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.657
Molar refractivity
162.62
Supplementary Information
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