SMILES:
C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1.CC(O)COC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8COCC(C)O)O[C@@H]7COCC(C)O)O[C@@H]6COCC(C)O)O[C@@H]5COCC(C)O)O[C@@H]4COCC(C)O)O[C@@H]3COCC(C)OMolecular Processing
Molecular formula
C90H153NO47S
Molecular weight
2033.24
Exact mass
2031.9334
XLogP
-7.13
TPSA
715.38
H-bond donors
23
H-bond acceptors
49
Rotatable bonds
30
Heavy atoms
139
Rings
23
Aromatic rings
1
Saturated rings
21
Aliphatic rings
22
Stereo centers
47
Undefined stereo
7
Formal charge
0
Heteroatoms
49
Covalent units
2
Fraction Csp3
0.9
Molar refractivity
472.69
Supplementary Information
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