SMILES:
CC1=C2[C@@H]3OC(=O)C(O)(CN4CCCCC4)C3(O)CC[C@@]2(C)CCC1Molecular Processing
Molecular formula
C20H31NO4
Molecular weight
349.47
Exact mass
349.2253
XLogP
2.16
TPSA
70
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
4
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.85
Molar refractivity
93.96
Supplementary Information
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