SMILES:
CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12CMolecular Processing
Molecular formula
C27H44O6
Molecular weight
464.64
Exact mass
464.3138
XLogP
2.74
TPSA
118.22
H-bond donors
5
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
33
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
10
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
125.14
Supplementary Information
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