Agrimoniin
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Agrimoniin
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CAS No:
82203-01-8
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Formula:
C82H54O52
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Chemical Name:
Agrimoniin
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Synonyms:
α-D-Glucopyranose,cyclic 2,3:4,6-bis[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1-[2-[5-[[[2,3:4,6-bis-O-[[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-diyl]dicarbonyl]-α-D-glucopyranosyl]oxy]carbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate];α-D-Glucopyranose,cyclic 2,3:4,6-bis(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate) 1-[2-[5-[[[2,3:4,6-bis-O-[(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-diyl)dicarbonyl]-α-D-glucopyranosyl]oxy]carbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate],stereoisomer;Dibenzo[g,i]dibenzo[6′,7′:8′,9′][1,4]dioxecino[2′,3′:4,5]pyrano[3,2-b][1,5]dioxacycloundecin,α-D-glucopyranose deriv.;Agrimoniin
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CAS No:
Description
ChEBI: A dimeric hydrolysable tannin in which 2 moles of potentillin monomer are linked via a dehydrogalloyl group; an antitumor tannin of Agrimonia pilosa Ledeb., which induces interleukin-1.
Agrimoniin is a dimeric hydrolysable tannin in which 2 moles of potentillin monomer are linked via a dehydrogalloyl group; an antitumor tannin of Agrimonia pilosa Ledeb., which induces interleukin-1.
Computed Properties
Molecular Weight:1871.3
XLogP3:4.2
Hydrogen Bond Donor Count:29
Hydrogen Bond Acceptor Count:52
Rotatable Bond Count:8
Exact Mass:1870.1581119
Monoisotopic Mass:1870.1581119
Topological Polar Surface Area:877
Heavy Atom Count:134
Complexity:4320
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
