Nombre: Compound [ 13 ]
SMILES:
CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](CO)O[C@]1(O)c1cccs1Molecular Processing
Molecular formula
C31H39NO14S
Molecular weight
681.71
Exact mass
681.2091
XLogP
0.27
TPSA
205.61
H-bond donors
4
H-bond acceptors
15
Rotatable bonds
12
Heavy atoms
47
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
10
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.548
Molar refractivity
160.08
Supplementary Information
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