SMILES:
CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc2oc(C(=O)O)c(C)c2c1Molecular Processing
Molecular formula
C28H34O5
Molecular weight
450.58
Exact mass
450.2406
XLogP
6.85
TPSA
76.74
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
130.41
Supplementary Information
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