SMILES:
CCCCCCCCCCCCCC(=O)O[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCNC(C(=O)OCC)[C@@H](O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=OMolecular Processing
Molecular formula
C46H69N5O15
Molecular weight
932.08
Exact mass
931.479
XLogP
3.61
TPSA
268.98
H-bond donors
5
H-bond acceptors
16
Rotatable bonds
30
Heavy atoms
66
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
8
Undefined stereo
1
Formal charge
0
Heteroatoms
20
Covalent units
1
Fraction Csp3
0.652
Molar refractivity
238.58
Supplementary Information
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