SMILES:
CCC(NC(Cc1ccc2c(c1)OCC(c1ccc(OC(C)=O)cc1)O2)C(=O)OC)c1ccccc1Molecular Processing
Molecular formula
C29H31NO6
Molecular weight
489.57
Exact mass
489.2151
XLogP
4.95
TPSA
83.09
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.31
Molar refractivity
135.17
Supplementary Information
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