Melitin

7-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

Also Known As: Melitin|Melitine|Brucella melitensis M antigen|M Antigen, Brucella Melitensis|M Antigen (brucella melitensis)|7-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one|4H-1-Benzopyran-4-one, 7-((6-deoxy-3-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl)oxy)-3-((6-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-|Kaempferol 3-galactosyl-(1->6)-glucoside-7-rhamnosyl-(1->3)-rhamnoside|3-((6-O-Hexopyranosylhexopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-deoxy-3-O-(6-deoxyhexopyranosyl)hexopyranoside|3-[(6-O-Hexopyranosylhexopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-deoxy-3-O-(6-deoxyhexopyranosyl)hexopyranoside

Molecular Formula	C39H50O24
Molecular Weight	902.2692 g/mol
LogP	-5.0678
Topological Polar Surface Area	387.27 Ų
Hydrogen Bond Donors	14
Hydrogen Bond Acceptors	24
Rotatable Bonds	11
Exact Mass	902.2692
Monoisotopic Mass	902.2692
Heavy Atoms	63
Complexity	2083.3884

Chemical Identifiers

CAS Number	81944-31-2
SMILES	CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3=CC(=C4C(=C3)OC(=C(C4=O)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)O)O)C7=CC=C(C=C7)O)O)C)O)O)O)O