名称: DC-11
SMILES:
COC(=O)N[C@H]1[C@@H](C)O[C@@H](O[C@H]2C/C=C(/C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5C[C@@H](O[C@H]6CC[C@@H](O[C@H]7C[C@@H](O)[C@@H](O[C@H]8CC[C@@H](O)[C@H](C)O8)[C@H](C)O7)[C@H](C)O6)[C@@H](OC(C)=O)[C@H](C)O5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)OC4(C=C(C=O)C[C@H](O)[C@H]4/C=C/2C)C3=O)C[C@]1(C)[N+](=O)[O-]Molecular Processing
Molecular formula
C67H96N2O24
Molecular weight
1313.49
Exact mass
1312.6353
XLogP
6.36
TPSA
341.43
H-bond donors
5
H-bond acceptors
24
Rotatable bonds
14
Heavy atoms
93
Rings
10
Aromatic rings
0
Saturated rings
7
Aliphatic rings
10
Stereo centers
29
Undefined stereo
1
Formal charge
0
Heteroatoms
26
Covalent units
1
Fraction Csp3
0.776
Molar refractivity
325.19
Supplementary Information
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