Nom: 3,9-difluoro-12-(2,3-di-O-benzyl-4-deoxy-β-D-glucopyranosyl)-6,7,12,13-tetrahydro-(5H)indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7-dione
SMILES:
O=C1NC(=O)c2c1c1c3cc(F)ccc3[nH]c1c1c2c2cc(F)ccc2n1[C@@H]1O[C@H](CO)C[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1Molecular Processing
Molecular formula
C40H31F2N3O6
Molecular weight
687.7
Exact mass
687.2181
XLogP
7.04
TPSA
114.81
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
51
Rings
9
Aromatic rings
7
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
186.17
Supplementary Information
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