이름: (1S)-1,5-anhydro-2,3,4,6-tetra-O-benzyl-1-[3-(hydroxymethyl)phenyl]-D-glucitol
SMILES:
OCc1cccc([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c1Molecular Processing
Molecular formula
C41H42O6
Molecular weight
630.78
Exact mass
630.2981
XLogP
7.59
TPSA
66.38
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
15
Heavy atoms
47
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.268
Molar refractivity
181.13
Supplementary Information
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