SMILES:
CC#CCC(C)(C)C(C=CC1CCC(=O)C1CC=CCCCC(=O)O)OC1CCCCO1Molecular Processing
Molecular formula
C27H40O5
Molecular weight
444.61
Exact mass
444.2876
XLogP
5.69
TPSA
72.83
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
12
Heavy atoms
32
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.704
Molar refractivity
125.92
Supplementary Information
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