Isoescin Ia
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Isoescin Ia
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CAS No:
219944-39-5
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Formula:
C55H86O24
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Chemical Name:
Isoescin Ia
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Synonyms:
(3beta,4beta,16alpha,21beta,22alpha)-28-(Acetyloxy)-16,22,23-trihydroxy-21-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-beta-D-glucopyranosyl-(1-2)-O-[beta-D-glucopyranosyl-(1-4)]-beta-D-glucopyranosiduronic acid;Aescin C;Escin IVa;Isoescin Ia;Isoescin IA(Isoaescin IA)
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CAS No:
Description
Isoescin IA is a triterpenoid saponin isolated from the seeds of Aesculus chinensis. Isoescin IA has anti-HIV-1 protease activity[1].
Computed Properties
Molecular Weight:1131.3
XLogP3:0.1
Hydrogen Bond Donor Count:13
Hydrogen Bond Acceptor Count:24
Rotatable Bond Count:16
Exact Mass:1130.55090361
Monoisotopic Mass:1130.55090361
Topological Polar Surface Area:388
Heavy Atom Count:79
Complexity:2300
Defined Atom Stereocenter Count:27
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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