CCC(=O)O.CCC(=O)O.C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43CO)[C@@H]1CC[C@@H]2O
SMILES: CCC(=O)O.CCC(=O)O.C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43CO)[C@@H]1CC[C@@H]2O

Molecular Processing

Molecular formula
C25H38O7
Molecular weight
450.57
Exact mass
450.2618
XLogP
3.59
TPSA
132.13
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
32
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
3
Fraction Csp3
0.72
Molar refractivity
119.89

Supplementary Information

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