C[C@H](CCC(=O)OCc1ccccc1)O[C@@H]1O[C@@H](C)[C@H](OC(=O)[C@H](C)CN=[N+]=[N-])C[C@H]1OC(=O)CCCCO[C@@H]1O[C@@H](C)[C@H](OCc2ccccc2)C[C@H]1OCc1ccccc1
SMILES: C[C@H](CCC(=O)OCc1ccccc1)O[C@@H]1O[C@@H](C)[C@H](OC(=O)[C@H](C)CN=[N+]=[N-])C[C@H]1OC(=O)CCCCO[C@@H]1O[C@@H](C)[C@H](OCc2ccccc2)C[C@H]1OCc1ccccc1

Molecular Processing

Molecular formula
C47H61N3O12
Molecular weight
860.01
Exact mass
859.4255
XLogP
8.31
TPSA
183.04
H-bond donors
0
H-bond acceptors
13
Rotatable bonds
24
Heavy atoms
62
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
10
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.553
Molar refractivity
226.7

Supplementary Information

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