이름: residue 211
SMILES:
CC(=O)CCC(=O)O[C@@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](C)O[C@H]1OMolecular Processing
Molecular formula
C25H30O7
Molecular weight
442.51
Exact mass
442.1992
XLogP
3.18
TPSA
91.29
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
116.39
Supplementary Information
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