SMILES:
COc1cc2c(cc1OC)N(C(=O)OCc1ccc(OC(=O)NC(CCC(=O)O)C(=O)O)cc1)[C@@H](O)[C@@H]1CCCN1C2=OMolecular Processing
Molecular formula
C28H31N3O12
Molecular weight
601.57
Exact mass
601.1908
XLogP
2.19
TPSA
201.47
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
10
Heavy atoms
43
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.393
Molar refractivity
146.17
Supplementary Information
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