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POLYPHYLLIN D

CAS No.:
50773-41-6
Catalog Number:
AG00DA54
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00DA54
Chemical Name:
POLYPHYLLIN D
CAS Number:
50773-41-6
MDL Number:
MFCD09026938
IUPAC Name:
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
InChI:
InChI=1S/C44H70O16/c1-19-8-13-44(53-18-19)20(2)30-27(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)55-41-38(59-39-35(51)33(49)31(47)21(3)54-39)36(52)37(29(17-46)57-41)58-40-34(50)32(48)28(16-45)56-40/h6,19-21,23-41,45-52H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44-/m1/s1
InChI Key:
LRRDDWMXYOSKIC-IPKCVOQPSA-N
Properties
Complexity:
1570  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
25  
Defined Bond Stereocenter Count:
0
Exact Mass:
854.466g/mol
Formal Charge:
0
Heavy Atom Count:
60  
Hydrogen Bond Acceptor Count:
16  
Hydrogen Bond Donor Count:
8  
Isotope Atom Count:
0
Molecular Weight:
855.028g/mol
Monoisotopic Mass:
854.466g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
236A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Polyphyllin I induces cell cycle arrest and apoptosis in human myeloma cells via modulating β-catenin signaling pathway. European journal of haematology 20161001
Effects of polyphyllin I on growth inhibition of human non-small lung cancer cells and in xenograft. Acta biochimica et biophysica Sinica 20101101
Properties