CC1COC2(OC3CC4C5CCC6CC(O)CCC6(C)C5C5OC5C4(C)C3C2C)C(Br)C1
SMILES: CC1COC2(OC3CC4C5CCC6CC(O)CCC6(C)C5C5OC5C4(C)C3C2C)C(Br)C1

Molecular Processing

Molecular formula
C27H41BrO4
Molecular weight
509.53
Exact mass
508.2188
XLogP
5.15
TPSA
51.22
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
32
Rings
7
Aromatic rings
0
Saturated rings
7
Aliphatic rings
7
Stereo centers
15
Undefined stereo
15
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
1
Molar refractivity
125.25

Supplementary Information

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