SMILES:
COc1ccc(CC(=O)OC2OC(C(=O)OCc3ccccc3)C(O)C(O)C2O)cc1Oc1ccc(NC(=O)C(C)(C)C)cc1CSC(C)(C)CMolecular Processing
Molecular formula
C38H47NO11S
Molecular weight
725.86
Exact mass
725.287
XLogP
5.14
TPSA
170.08
H-bond donors
4
H-bond acceptors
12
Rotatable bonds
12
Heavy atoms
51
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.447
Molar refractivity
191.36
Supplementary Information
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