C=C(C)C[C@@]1(c2cc(Cc3ccc(CC)cc3)c(Cl)cc2O)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Name: 25
SMILES: C=C(C)C[C@@]1(c2cc(Cc3ccc(CC)cc3)c(Cl)cc2O)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

Molecular Processing

Molecular formula
C53H55ClO6
Molecular weight
823.47
Exact mass
822.3687
XLogP
11.73
TPSA
66.38
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
19
Heavy atoms
60
Rings
7
Aromatic rings
6
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.283
Molar refractivity
238.88

Supplementary Information

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