2(1H)-Azulenone,7-[1-(b-D-glucopyranosyloxy)-1-methylethyl]octahydro-1,4-dihydroxy-4-(hydroxymethyl)-1-methyl-, (1S,3aS,4R,7R,8aR)-


Chemical Name: 2(1H)-Azulenone,7-[1-(b-D-glucopyranosyloxy)-1-methylethyl]octahydro-1,4-dihydroxy-4-(hydroxymethyl)-1-methyl-, (1S,3aS,4R,7R,8aR)-
CAS Number: 126054-77-1
Product Number: AG00IKM2(AGN-PC-0PI7G3)
Synonyms:
MDL No:
Molecular Formula: C21H36O10
Molecular Weight: 448.5045

Identification/Properties


Computed Properties
Molecular Weight:
448.509g/mol
XLogP3:
-2.2
Hydrogen Bond Donor Count:
7
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
5
Exact Mass:
448.231g/mol
Monoisotopic Mass:
448.231g/mol
Topological Polar Surface Area:
177A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
671
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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