CC1COC2(OC3CC4C5CCC6CC(O)CCC6(C)C5C(O)C(O)C4(C)C3C2C)C(Br)C1
SMILES: CC1COC2(OC3CC4C5CCC6CC(O)CCC6(C)C5C(O)C(O)C4(C)C3C2C)C(Br)C1

Molecular Processing

Molecular formula
C27H43BrO5
Molecular weight
527.54
Exact mass
526.2294
XLogP
4.11
TPSA
79.15
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
0
Heavy atoms
33
Rings
6
Aromatic rings
0
Saturated rings
6
Aliphatic rings
6
Stereo centers
15
Undefined stereo
15
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
1
Molar refractivity
128.6

Supplementary Information

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