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Liriope muscari baily saponins C

CAS No.:
87480-46-4
Catalog Number:
AG00H09D
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00H09D
Chemical Name:
Liriope muscari baily saponins C
CAS Number:
87480-46-4
MDL Number:
MFCD20487833
IUPAC Name:
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'S,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]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
InChI:
InChI=1S/C44H70O16/c1-19-8-13-44(54-17-19)20(2)30-28(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)56-41-38(59-40-36(52)34(50)31(47)21(3)55-40)37(33(49)29(16-45)57-41)58-39-35(51)32(48)27(46)18-53-39/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+/m0/s1
InChI Key:
DQYACEDUQHWXQZ-YZBXVEJJSA-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:
7  
Topological Polar Surface Area:
236A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties