SMILES:
CC(=O)OCC1OC(c2ccc(C3CC3)c(Cc3ncc(-c4ccco4)s3)c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OMolecular Processing
Molecular formula
C31H33NO10S
Molecular weight
611.67
Exact mass
611.1825
XLogP
4.67
TPSA
140.46
H-bond donors
0
H-bond acceptors
12
Rotatable bonds
10
Heavy atoms
43
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.452
Molar refractivity
151.95
Supplementary Information
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