O=C1C(=Cc2ccc(OCC3CO3)cc2)CCC1=Cc1ccc(OCC2CO2)cc1
SMILES: O=C1C(=Cc2ccc(OCC3CO3)cc2)CCC1=Cc1ccc(OCC2CO2)cc1

Molecular Processing

Molecular formula
C25H24O5
Molecular weight
404.46
Exact mass
404.1624
XLogP
4.07
TPSA
60.59
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
30
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
113.55

Supplementary Information

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