SMILES:
COC(=O)C1C(c2ccc3c(c2)OCO3)Oc2ccccc2C1c1ccc(OC)cc1Molecular Processing
Molecular formula
C25H22O6
Molecular weight
418.45
Exact mass
418.1416
XLogP
4.48
TPSA
63.22
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
112.72
Supplementary Information
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