CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](OCc5cn(O[C@@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)nn5)CC[C@]4(C)[C@H]3CC[C@]12C
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](OCc5cn(O[C@@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)nn5)CC[C@]4(C)[C@H]3CC[C@]12C

Molecular Processing

Molecular formula
C42H71N3O12
Molecular weight
810.04
Exact mass
809.5038
XLogP
2.34
TPSA
218.47
H-bond donors
7
H-bond acceptors
14
Rotatable bonds
14
Heavy atoms
57
Rings
7
Aromatic rings
1
Saturated rings
6
Aliphatic rings
6
Stereo centers
19
Undefined stereo
1
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.952
Molar refractivity
204.65

Supplementary Information

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