이름: Neohesperidin dihydrochalcone
SMILES:
COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O)cc1OMolecular Processing
Molecular formula
C28H36O15
Molecular weight
612.58
Exact mass
612.2054
XLogP
-1.34
TPSA
245.29
H-bond donors
9
H-bond acceptors
15
Rotatable bonds
10
Heavy atoms
43
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
10
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.536
Molar refractivity
142.7
Supplementary Information
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