CC(C)(C)C(=O)OCC1OC(Oc2nn(CCCC(=O)O)c3nccc(CCc4ccc(OC(=O)C(C)(C)C)cc4)c23)C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C1OC(=O)C(C)(C)C
SMILES: CC(C)(C)C(=O)OCC1OC(Oc2nn(CCCC(=O)O)c3nccc(CCc4ccc(OC(=O)C(C)(C)C)cc4)c23)C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C1OC(=O)C(C)(C)C

Molecular Processing

Molecular formula
C49H69N3O14
Molecular weight
924.1
Exact mass
923.478
XLogP
7.6
TPSA
217.97
H-bond donors
1
H-bond acceptors
15
Rotatable bonds
15
Heavy atoms
66
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.633
Molar refractivity
241.05

Supplementary Information

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