CCCOc1c(O)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CC(C)=O
SMILES: CCCOc1c(O)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CC(C)=O

Molecular Processing

Molecular formula
C25H32O9S
Molecular weight
508.59
Exact mass
508.1767
XLogP
4.16
TPSA
117.59
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
35
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
128.53

Supplementary Information

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