SMILES:
CC(CO)CCCC(C)C1C(=O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21CMolecular Processing
Molecular formula
C27H44O3
Molecular weight
416.65
Exact mass
416.329
XLogP
5.54
TPSA
57.53
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
9
Undefined stereo
9
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
120.85
Supplementary Information
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