SMILES:
COc1ccc([C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC2CCCC2)C(=O)[C@@]2(C)CO2)cc1Molecular Processing
Molecular formula
C30H44N4O8
Molecular weight
588.7
Exact mass
588.3159
XLogP
0.47
TPSA
158.83
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
14
Heavy atoms
42
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
152.62
Supplementary Information
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