kakkalide

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 16
Total Number of Articles : 6
PubChem 5490351
Molecular Formula

C28H32O15

SMILES

COC1=CC=C(C=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O)O

InChI

InChI=1S/C28H32O15/c1-37-12-5-3-11(4-6-12)13-8-39-15-7-16(26(38-2)22(33)18(15)19(13)30)42-28-25(36)23(34)21(32)17(43-28)10-41-27-24(35)20(31)14(29)9-40-27/h3-8,14,17,20-21,23-25,27-29,31-36H,9-10H2,1-2H3/t14-,17-,20+,21-,23+,24-,25-,27+,28-/m1/s1

synonyms
  • Kakkalide
  • 58274-56-9
  • 5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
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Properties
Property Value
MW 608.5 g/mol
HBD 7
HBA 15
Rotatable Bond Count 8
Exact Mass 608.17412031 g/mol
Monoisotopic Mass 608.17412031 g/mol
Heavy Atom Count 43
Isotope Atom Count 0
Atom Stereo Count 9
Covalent Unit Count 1
Complexity 972
xlogp -0.9
Topological Polar Surface Area 223