SMILES:
CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3.Cc1ccc(S(=O)(=O)[O-])cc1Molecular Processing
Molecular formula
C37H57O5S-
Molecular weight
613.93
Exact mass
613.3932
XLogP
8.14
TPSA
86.66
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
43
Rings
7
Aromatic rings
1
Saturated rings
6
Aliphatic rings
6
Stereo centers
10
Undefined stereo
0
Formal charge
-1
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.838
Molar refractivity
169.33
Supplementary Information
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