الاسم: 31-O-desmethylFK-506
SMILES:
C=CCC1/C=C(\C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(/C(C)=C/C3CCC(O)C(O)C3)C(C)C(O)CC1=O)C(C)CC2OCMolecular Processing
Molecular formula
C43H67NO12
Molecular weight
790
Exact mass
789.4663
XLogP
3.98
TPSA
189.36
H-bond donors
4
H-bond acceptors
12
Rotatable bonds
6
Heavy atoms
56
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
14
Undefined stereo
14
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.767
Molar refractivity
207.8
Supplementary Information
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