SMILES:
C[C@H](CCC(=O)OC(C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](OCC5CO5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12CMolecular Processing
Molecular formula
C31H52O6
Molecular weight
520.75
Exact mass
520.3764
XLogP
5.13
TPSA
88.52
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
37
Rings
5
Aromatic rings
0
Saturated rings
5
Aliphatic rings
5
Stereo centers
12
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.968
Molar refractivity
141.72
Supplementary Information
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