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139726-37-7 | α-D-Glucopyranoside, 3-O-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-β-D-fructofuranosyl, 6-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate]
CAS No: 139726-37-7 Catalog No: AG001BMH MDL No:
Product Description
Catalog Number:
AG001BMH
Chemical Name:
α-D-Glucopyranoside, 3-O-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-β-D-fructofuranosyl, 6-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate]
CAS Number:
139726-37-7
IUPAC Name:
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C35H44O19/c1-45-19-10-17(11-20(46-2)27(19)40)6-8-25(38)50-15-24-28(41)30(43)31(44)34(51-24)54-35(16-37)33(29(42)23(14-36)53-35)52-26(39)9-7-18-12-21(47-3)32(49-5)22(13-18)48-4/h6-13,23-24,28-31,33-34,36-37,40-44H,14-16H2,1-5H3/b8-6+,9-7+/t23-,24-,28-,29-,30+,31-,33+,34-,35+/m1/s1
InChI Key:
PMGMZCFZCYRJAG-KQTMLTHJSA-N
UNII:
LVZ4W45F47
Properties
Complexity:
1220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
2
Exact Mass:
768.248g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
19
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
768.718g/mol
Monoisotopic Mass:
768.248g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
268A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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