CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C=C(OC(C)=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@@]21C
SMILES: CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C=C(OC(C)=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@@]21C

Molecular Processing

Molecular formula
C25H30O7
Molecular weight
442.51
Exact mass
442.1992
XLogP
2.78
TPSA
102.43
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
32
Rings
5
Aromatic rings
0
Saturated rings
3
Aliphatic rings
5
Stereo centers
7
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.64
Molar refractivity
112.93

Supplementary Information

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