Oxypaeoniflorin
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Oxypaeoniflorin
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CAS No:
39011-91-1
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Formula:
C23H28O12
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Chemical Name:
Oxypaeoniflorin
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Synonyms:
β-D-Glucopyranoside,(1aR,2S,3aR,5R,5aR,5bS)-tetrahydro-5-hydroxy-5b-[[(4-hydroxybenzoyl)oxy]methyl]-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl;β-D-Glucopyranoside,tetrahydro-5-hydroxy-5b-[[(4-hydroxybenzoyl)oxy]methyl]-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl,[1aR-(1aα,2β,3aα,5α,5aα,5bα)]-;2,5-Methano-1H-3,4-dioxacyclobuta[cd]pentalene,β-D-glucopyranoside deriv.;(1aR,2S,3aR,5R,5aR,5bS)-Tetrahydro-5-hydroxy-5b-[[(4-hydroxybenzoyl)oxy]methyl]-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl β-D-glucopyranoside;Oxypaeoniflorin;Oxypeoniflorin;NSC 258310;Debenzoyl paeoniflorin
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CAS No:
Description
Oxypaeoniflorin is a natural product derived from Radix Paeoniae Rubra and Radix Paeoniae Alba.
Computed Properties
Molecular Weight:496.5
XLogP3:-1.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:7
Exact Mass:496.15807632
Monoisotopic Mass:496.15807632
Topological Polar Surface Area:185
Heavy Atom Count:35
Complexity:879
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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