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


Chemical Name: 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CAS Number: 10236-47-2
Product Number: AG00H9S2(AGN-PC-00DPF6)
Synonyms:
MDL No: MFCD00149445
Molecular Formula: C27H32O14
Molecular Weight: 580.5346

Identification/Properties


Computed Properties
Molecular Weight:
580.539g/mol
XLogP3:
-0.5
Hydrogen Bond Donor Count:
8
Hydrogen Bond Acceptor Count:
14
Rotatable Bond Count:
6
Exact Mass:
580.179g/mol
Monoisotopic Mass:
580.179g/mol
Topological Polar Surface Area:
225A^2
Heavy Atom Count:
41
Formal Charge:
0
Complexity:
884
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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