名称: Compound 35
SMILES:
CC(=O)O[C@H]1[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(COS(=O)(=O)c2ccc(C)cc2)[C@H]1OCc1ccccc1Molecular Processing
Molecular formula
C43H48N2O10SSi
Molecular weight
813.01
Exact mass
812.2799
XLogP
4.92
TPSA
152.22
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
14
Heavy atoms
57
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.326
Molar refractivity
217.38
Supplementary Information
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