SMILES:
O=C1O[C@H]([C@@H](O)COC(=O)C2C3C=CC(C3)C2C(=O)O)C(O)=C1OMolecular Processing
Molecular formula
C15H16O9
Molecular weight
340.28
Exact mass
340.0794
XLogP
-0.33
TPSA
150.59
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
0
Saturated rings
1
Aliphatic rings
3
Stereo centers
6
Undefined stereo
4
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
74.48
Supplementary Information
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