COc1cc2c(cc1OC(C)=O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1
SMILES: COc1cc2c(cc1OC(C)=O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1

Molecular Processing

Molecular formula
C23H30O5
Molecular weight
386.49
Exact mass
386.2093
XLogP
4.22
TPSA
53.99
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
28
Rings
5
Aromatic rings
1
Saturated rings
3
Aliphatic rings
4
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.696
Molar refractivity
103.56

Supplementary Information

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