CCC(C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C(=O)OC)CO[C@H]3[C@@H](O)[C@@](C)([C@]45O[C@@]4(C)[C@H]4CC5O[C@@H]5OCC[C@@]54O)[C@H]4[C@]1(CO[C@]4(O)C(=O)OC)[C@@H]32
SMILES: CCC(C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C(=O)OC)CO[C@H]3[C@@H](O)[C@@](C)([C@]45O[C@@]4(C)[C@H]4CC5O[C@@H]5OCC[C@@]54O)[C@H]4[C@]1(CO[C@]4(O)C(=O)OC)[C@@H]32

Molecular Processing

Molecular formula
C35H48O16
Molecular weight
724.75
Exact mass
724.2942
XLogP
-0.25
TPSA
215.34
H-bond donors
3
H-bond acceptors
16
Rotatable bonds
7
Heavy atoms
51
Rings
8
Aromatic rings
0
Saturated rings
8
Aliphatic rings
8
Stereo centers
17
Undefined stereo
2
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.886
Molar refractivity
164.65

Supplementary Information

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