4H-1-Benzopyran-4-one,3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-


Chemical Name: 4H-1-Benzopyran-4-one,3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
CAS Number: 17650-84-9
Product Number: AG00AB8R(AGN-PC-0QAY95)
Synonyms:
MDL No:
Molecular Formula: C27H30O15
Molecular Weight: 594.5181

Identification/Properties


Computed Properties
Molecular Weight:
594.522g/mol
XLogP3:
-0.9
Hydrogen Bond Donor Count:
9
Hydrogen Bond Acceptor Count:
15
Rotatable Bond Count:
6
Exact Mass:
594.158g/mol
Monoisotopic Mass:
594.158g/mol
Topological Polar Surface Area:
245A^2
Heavy Atom Count:
42
Formal Charge:
0
Complexity:
985
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
10
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
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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