SMILES:
CCCc1c(OCCCCC2CC(=O)c3ccc(OCC(=O)O)c(CCC)c3O2)ccc(C(C)=O)c1OMolecular Processing
Molecular formula
C29H36O8
Molecular weight
512.6
Exact mass
512.241
XLogP
5.55
TPSA
119.36
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
14
Heavy atoms
37
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.483
Molar refractivity
138.38
Supplementary Information
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