SMILES:
CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21Molecular Processing
Molecular formula
C25H38O5
Molecular weight
418.57
Exact mass
418.2719
XLogP
4.59
TPSA
72.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
30
Rings
3
Aromatic rings
0
Saturated rings
1
Aliphatic rings
3
Stereo centers
7
Undefined stereo
7
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.76
Molar refractivity
115.45
Supplementary Information
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