COc1ccc(CC2c3cc(OC(C)C)c(OC)cc3CCCN2C(C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1OC
SMILES: COc1ccc(CC2c3cc(OC(C)C)c(OC)cc3CCCN2C(C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1OC

Molecular Processing

Molecular formula
C39H44N2O7
Molecular weight
652.79
Exact mass
652.3149
XLogP
6.82
TPSA
87.72
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
48
Rings
6
Aromatic rings
4
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.359
Molar refractivity
183.37

Supplementary Information

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