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99520-79-3

99520-79-3 structural image
Product Name: aloe-emodin dianthrone diglucoside
Formula: C42H42O18
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COMPUTED DESCRIPTORS

Molecular Weight 834.8 g/mol
XLogP3 0.4
Hydrogen Bond Donor Count 12
Hydrogen Bond Acceptor Count 18
Rotatable Bond Count 9
Exact Mass 834.23711449 g/mol
Monoisotopic Mass 834.23711449 g/mol
Topological Polar Surface Area 314 Ų
Heavy Atom Count 60
Formal Charge 0
Complexity 1400
Isotope Atom Count 0
Defined Atom Stereocenter Count 10
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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