SMILES:
CC(C)[C@@H]1CC[C@]2(NC(=O)CN3CCS(=O)(=O)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12Molecular Processing
Molecular formula
C42H62N2O5S
Molecular weight
707.03
Exact mass
706.4379
XLogP
7.71
TPSA
103.78
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
50
Rings
7
Aromatic rings
1
Saturated rings
5
Aliphatic rings
6
Stereo centers
9
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.762
Molar refractivity
199.29
Supplementary Information
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