Название: hemiacetal
SMILES:
CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](C)O[C@H]2O)[C@H](NC(=O)C(Cl)(Cl)Cl)[C@@H](OC(C)=O)[C@@H]1OC(C)=OMolecular Processing
Molecular formula
C34H40Cl3NO13
Molecular weight
777.05
Exact mass
775.1565
XLogP
3.29
TPSA
174.38
H-bond donors
2
H-bond acceptors
13
Rotatable bonds
13
Heavy atoms
51
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
10
Undefined stereo
0
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
180.09
Supplementary Information
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