SMILES:
C=C(C)[C@@H]1CC[C@]2(NCC3(NC(=O)OC(C)(C)C)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)OC)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12Molecular Processing
Molecular formula
C46H68N2O4
Molecular weight
713.06
Exact mass
712.5179
XLogP
10.52
TPSA
76.66
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
52
Rings
7
Aromatic rings
1
Saturated rings
5
Aliphatic rings
6
Stereo centers
9
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.739
Molar refractivity
209.75
Supplementary Information
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