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dregeoside B

dregeoside B structure

dregeoside B 

structure
  • CAS No:

    126005-93-4

  • Formula:

    C53H90O22

  • Chemical Name:

    dregeoside B

  • Synonyms:

    12,20-di-O-isovaleryltomentogenin-3-O-alpha-oleandopyranosyl-(1-4)-alpha-oleandropyranoside;dregeoside B;DTXSID10925371;[8,14,17-trihydroxy-17-(1-hydroxyethyl)-3-[5-[5-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-12-yl] 3-methylbutanoate;3-((O-beta-D-Glucopyranosyl-(1-4)-O-6-deoxy-3-O-methyl-beta-D-allopyranosyl-(1-4)-O-2,6-dideoxy-3-O-methyl-beta-D-arabino-hexopyranosyl-(1-4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)pregnane-8,12,14,17,20-pentol 12-(3-methylbutanoate), (3beta,5alpha,12beta,14beta,17alpha,20S)-;3-{[Hexopyranosyl-(1->4)-6-deoxy-3-O-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl]oxy}-8,14,17,20-tetrahydroxypregnan-12-yl 3-methylbutanoa;Pregnane-8,12,14,17,20-pentol, 3-((O-beta-D-glucopyranosyl-(1-4)-O-6-deoxy-3-O-methyl-beta-D-allopyranosyl-(1-4)-O-2,6-dideoxy-3-O-methyl-beta-D-arabino-hexopyranosyl-(1-4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-, 12-(3-methylbutanoate), (3beta,5alpha,12beta,14beta,17alpha,20S)-

dregeoside B Basic Attributes

1079.2685

1078.592

Characteristics

310

0.6

Drug Information

12,20-di-O-isovaleryltomentogenin-3-O-alpha-oleandopyranosyl-(1-4)-alpha-oleandropyranoside

Computed Properties

Molecular Weight:1079.3
XLogP3:0.6
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:17
Exact Mass:1078.59237449
Monoisotopic Mass:1078.59237449
Topological Polar Surface Area:310
Heavy Atom Count:75
Complexity:1920
Undefined Atom Stereocenter Count:28
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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