7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one


Chemical Name: 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
CAS Number: 13241-33-3
Product Number: AG0010O9(AGN-PC-01LRLS)
Synonyms:
MDL No:
Molecular Formula: C28H34O15
Molecular Weight: 610.5606

Identification/Properties


Computed Properties
Molecular Weight:
610.565g/mol
XLogP3:
-0.5
Hydrogen Bond Donor Count:
8
Hydrogen Bond Acceptor Count:
15
Rotatable Bond Count:
7
Exact Mass:
610.19g/mol
Monoisotopic Mass:
610.19g/mol
Topological Polar Surface Area:
234A^2
Heavy Atom Count:
43
Formal Charge:
0
Complexity:
940
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
11
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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