Selligueain A
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Selligueain A
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CAS No:
152378-18-2
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Formula:
C45H36O15
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Chemical Name:
Selligueain A
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Synonyms:
8,14-Methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol,4-[(2R,3S)-3,4-dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-8-yl]-3,4-dihydro-2,8-bis(4-hydroxyphenyl)-,(2R,3R,4S,8S,14R,15R)-;8,14-Methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol,4-[3,4-dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-8-yl]-3,4-dihydro-2,8-bis(4-hydroxyphenyl)-,[2R-[2α,3α,4β(2R*,3S*),8β,14β,15R*]]-;(2R,3R,4S,8S,14R,15R)-4-[(2R,3S)-3,4-Dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-8-yl]-3,4-dihydro-2,8-bis(4-hydroxyphenyl)-8,14-methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol;Selligueain A;Selligueain;Shellegueain A
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CAS No:
Computed Properties
Molecular Weight:816.8
XLogP3:4.4
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:4
Exact Mass:816.20542044
Monoisotopic Mass:816.20542044
Topological Polar Surface Area:259
Heavy Atom Count:60
Complexity:1480
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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