O=C(OC[C@H]1O[C@H](O[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@H](O[C@H]3[C@H](OC(=O)c4ccccc4)[C@@H](COC(=O)c4ccccc4)OC(O)[C@H]3OC(=O)c3ccccc3)O[C@H](COC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1
Name: hemiacetal
SMILES: O=C(OC[C@H]1O[C@H](O[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@H](O[C@H]3[C@H](OC(=O)c4ccccc4)[C@@H](COC(=O)c4ccccc4)OC(O)[C@H]3OC(=O)c3ccccc3)O[C@H](COC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

Molecular Processing

Molecular formula
C88H72O26
Molecular weight
1545.52
Exact mass
1544.4312
XLogP
11.07
TPSA
329.38
H-bond donors
1
H-bond acceptors
26
Rotatable bonds
27
Heavy atoms
114
Rings
13
Aromatic rings
10
Saturated rings
3
Aliphatic rings
3
Stereo centers
15
Undefined stereo
1
Formal charge
0
Heteroatoms
26
Covalent units
1
Fraction Csp3
0.205
Molar refractivity
397.64

Supplementary Information

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