SMILES:
C=C(C)[C@@H]1CC[C@]2(NC(=O)C3(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)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12Molecular Processing
Molecular formula
C45H64N2O5
Molecular weight
713.02
Exact mass
712.4815
XLogP
9.96
TPSA
104.73
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
52
Rings
7
Aromatic rings
1
Saturated rings
5
Aliphatic rings
6
Stereo centers
9
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.711
Molar refractivity
205.51
Supplementary Information
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