CCC(O)(C=Cc1ccc(C(CC)(CC)c2ccc(-c3cc(CC(=O)OC)ccc3OC)c(C)c2)cc1C)CC
SMILES: CCC(O)(C=Cc1ccc(C(CC)(CC)c2ccc(-c3cc(CC(=O)OC)ccc3OC)c(C)c2)cc1C)CC

Molecular Processing

Molecular formula
C36H46O4
Molecular weight
542.76
Exact mass
542.3396
XLogP
8.36
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
12
Heavy atoms
40
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
165.99

Supplementary Information

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