SMILES:
CCCc1c(OCCCOc2ccc3c(c2CCC)OC(C)(CCC(=O)N2CCC[C@H]2C(=O)O)CC3=O)ccc(C(C)=O)c1OMolecular Processing
Molecular formula
C35H45NO9
Molecular weight
623.74
Exact mass
623.3094
XLogP
5.93
TPSA
139.67
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
15
Heavy atoms
45
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.543
Molar refractivity
167.74
Supplementary Information
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