SMILES:
CC(C)Oc1ccc2c(c1)C(C1CCCC1)=C(C(=O)O)C(c1ccc3c(c1)OCO3)O2Molecular Processing
Molecular formula
C25H26O6
Molecular weight
422.48
Exact mass
422.1729
XLogP
5.36
TPSA
74.22
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
114.65
Supplementary Information
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