agelasineB
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agelasineB
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CAS No:
92664-76-1
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Formula:
C26H40N5
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Chemical Name:
agelasineB
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Synonyms:
agelasine B;Ags-B;CHEMBL516534;BDBM50092803;7-[(E)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methyl-pent-2-enyl]-9-methyl-purin-7-ium-6-amine;7H-Purinium, 6-amino-9-methyl-7-(3-methyl-5-(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)-2-pentenyl)-, (1S-(1alpha(E),2beta,4abeta,8aalpha))-
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CAS No:
Computed Properties
Molecular Weight:422.6
XLogP3:6.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:422.32837130
Monoisotopic Mass:422.32837130
Topological Polar Surface Area:60.6
Heavy Atom Count:31
Formal Charge:1
Complexity:717
Defined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes