CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1ccc2oc(C(=O)O)cc2c1
SMILES: CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1ccc2oc(C(=O)O)cc2c1

Molecular Processing

Molecular formula
C27H34O5
Molecular weight
438.56
Exact mass
438.2406
XLogP
6.33
TPSA
79.9
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
126.67

Supplementary Information

Details werden geladen…

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