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

Molecular Processing

Molecular formula
C24H30O8
Molecular weight
446.5
Exact mass
446.1941
XLogP
1.45
TPSA
149.2
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
8
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
111.22

Supplementary Information

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