Name: α-D-cellobiose octaacetate
SMILES:
CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OMolecular Processing
Molecular formula
C28H38O19
Molecular weight
678.59
Exact mass
678.2007
XLogP
-0.83
TPSA
238.09
H-bond donors
0
H-bond acceptors
19
Rotatable bonds
12
Heavy atoms
47
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
10
Undefined stereo
0
Formal charge
0
Heteroatoms
19
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
145
Supplementary Information
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