SMILES:
COC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(O)CC12CMolecular Processing
Molecular formula
C21H34O4
Molecular weight
350.5
Exact mass
350.2457
XLogP
3.15
TPSA
66.76
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
25
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
9
Undefined stereo
9
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.952
Molar refractivity
94.63
Supplementary Information
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