Luteolin 7-glucoside-4'-neohesperidoside

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 1
PubChem 44258105
Molecular Formula

C33H40O20

SMILES

CC1[C@@H](C([C@@H]([C@@H](O1)OC2[C@@H](OC([C@H](C2O)O)CO)OC3=C(C=C(C=C3)C4=CC(=O)C5=C(C=C(C=C5O4)O[C@H]6C(C([C@@H]([C@@H](O6)CO)O)O)O)O)O)O)O)O

InChI

InChI=1S/C33H40O20/c1-10-22(39)25(42)28(45)31(47-10)53-30-27(44)24(41)20(9-35)52-33(30)50-16-3-2-11(4-13(16)36)17-7-15(38)21-14(37)5-12(6-18(21)49-17)48-32-29(46)26(43)23(40)19(8-34)51-32/h2-7,10,19-20,22-37,39-46H,8-9H2,1H3/t10?,19-,20?,22-,23+,24+,25?,26?,27?,28-,29?,30?,31-,32+,33+/m0/s1

synonyms
  • Luteolin 7-glucoside-4'-neohesperidoside
  • LMPK12110681
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Properties
Property Value
MW 756.7 g/mol
HBD 12
HBA 20
Rotatable Bond Count 9
Exact Mass 756.21129366 g/mol
Monoisotopic Mass 756.21129366 g/mol
Heavy Atom Count 53
Isotope Atom Count 0
Atom Stereo Count 15
Covalent Unit Count 1
Complexity 1270
xlogp -2.4
Topological Polar Surface Area 324