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1014974-98-1

1014974-98-1 | β-D-Glucopyranoside, 3,4,5-trimethoxyphenyl 6-O-[5-O-(4-hydroxy-3,5-dimethoxybenzoyl)-D-apio-β-D-furanosyl]-

CAS No: 1014974-98-1 Catalog No: AG0004LY MDL No:

Product Description

Catalog Number:
AG0004LY
Chemical Name:
β-D-Glucopyranoside, 3,4,5-trimethoxyphenyl 6-O-[5-O-(4-hydroxy-3,5-dimethoxybenzoyl)-D-apio-β-D-furanosyl]-
CAS Number:
1014974-98-1
IUPAC Name:
[(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methoxy]oxolan-3-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate
InChI:
InChI=1S/C29H38O17/c1-37-15-6-13(7-16(38-2)20(15)30)26(35)43-11-29(36)12-44-28(25(29)34)42-10-19-21(31)22(32)23(33)27(46-19)45-14-8-17(39-3)24(41-5)18(9-14)40-4/h6-9,19,21-23,25,27-28,30-34,36H,10-12H2,1-5H3/t19-,21-,22+,23-,25+,27-,28-,29-/m1/s1
InChI Key:
JXFLXUHEPVEMKK-UTDQSPDHSA-N

Properties

Complexity:
931  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
658.211g/mol
Formal Charge:
0
Heavy Atom Count:
46  
Hydrogen Bond Acceptor Count:
17  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
658.606g/mol
Monoisotopic Mass:
658.211g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
231A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  

Literature

Title Journal
Hepatoprotective constituents from the roots and stems of Erycibe hainanesis. Journal of natural products 20100226

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