SMILES:
CC(C)(C)OC(=O)C1CC2C=CC1CC2.O=C(OCCCO)C1CC2C=CC1C2.O=C1C=CC(=O)O1Molecular Processing
Molecular formula
C28H38O8
Molecular weight
502.6
Exact mass
502.2567
XLogP
3.68
TPSA
116.2
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
36
Rings
6
Aromatic rings
0
Saturated rings
2
Aliphatic rings
6
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
8
Covalent units
3
Fraction Csp3
0.643
Molar refractivity
131.05
Supplementary Information
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