SMILES:
COC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)OCO3)c(Oc2ccccc2OC)c(OCCOC2CCCCO2)c1Molecular Processing
Molecular formula
C29H31NO11S
Molecular weight
601.63
Exact mass
601.1618
XLogP
4.73
TPSA
137.08
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
12
Heavy atoms
42
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.345
Molar refractivity
149.26
Supplementary Information
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