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Cimicifugoside

Cimicifugoside structure

Cimicifugoside 

structure
  • CAS No:

    66176-93-0

  • Formula:

    C37H54O11

  • Chemical Name:

    Cimicifugoside

  • Synonyms:

    β-D-Xylopyranoside,(3β,12β,16β,23R,24R,25S)-12-(acetyloxy)-16,23:23,26:24,25-triepoxy-26-hydroxy-9,19-cyclolanost-7-en-3-yl;(3β,12β,16β,23R,24R,25S)-12-(Acetyloxy)-16,23:23,26:24,25-triepoxy-26-hydroxy-9,19-cyclolanost-7-en-3-yl β-D-xylopyranoside;Cimicifugoside

  • Categories:

    Biochemical Engineering  >  Chinese Herbs

Description

Cimicifugoside, a triterpenoid isolated from Cimicifuga simplex, is a novel specific nucleoside transport inhibitor that displays synergistic potentiation of methotrexate cytotoxicity[1]. Cimicifugoside shows immunosuppressive activity, which is preferentially directed toward B-cell function with larger doses being required for suppression of T-cell function[2].

Cimicifugoside Basic Attributes

674.82

674.82

DTXSID0033334

Characteristics

156.67000

2.94870

1.38 g/cm3

1.619

Drug Information

cimicifugoside

Computed Properties

Molecular Weight:674.8
XLogP3:2.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:4
Exact Mass:674.36661253
Monoisotopic Mass:674.36661253
Topological Polar Surface Area:157
Heavy Atom Count:48
Complexity:1450
Defined Atom Stereocenter Count:11
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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