COc1cc2c(c(OC(C)=O)c1)[C@H]1CC[C@]3(C)C(=O)[C@@H](OC(C)=O)C[C@H]3[C@@H]1CC2
SMILES: COc1cc2c(c(OC(C)=O)c1)[C@H]1CC[C@]3(C)C(=O)[C@@H](OC(C)=O)C[C@H]3[C@@H]1CC2

Molecular Processing

Molecular formula
C23H28O6
Molecular weight
400.47
Exact mass
400.1886
XLogP
3.59
TPSA
78.9
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.609
Molar refractivity
104.86

Supplementary Information

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