CC(=O)OCC1OC(Oc2cccc3occ(CCc4ccc(NS(C)(=O)=O)cc4)c23)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
SMILES: CC(=O)OCC1OC(Oc2cccc3occ(CCc4ccc(NS(C)(=O)=O)cc4)c23)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Molecular Processing

Molecular formula
C31H35NO13S
Molecular weight
661.68
Exact mass
661.1829
XLogP
3.05
TPSA
182.97
H-bond donors
1
H-bond acceptors
13
Rotatable bonds
12
Heavy atoms
46
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.419
Molar refractivity
161.11

Supplementary Information

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