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Pongamoside A
PHCD compound ID : 1309
Chemical Names :
Pongamoside A
Molecular Formula : C23H20O9
Molecular Weight : 440.110732
More Details :
Names & Synonyms: 2-[3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]furo[2,3-h]chromen-4-one , 2-[3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-4-furo[2,3-h][1]benzopyranone , 2-[3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]furo[2,3-h]chromen-4-one , 2-[3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]furo[2,3-h]chromen-4-one , 2-[3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphenyl]furo[2,3-h]chromen-4-one
Smiles: OC[C@H]1O[C@@H](Oc2cccc(c2)c2cc(=O)c3c(o2)c2ccoc2cc3)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C23H20O9/c24-10-18-19(26)20(27)21(28)23(32-18)30-12-3-1-2-11(8-12)17-9-15(25)13-4-5-16-14(6-7-29-16)22(13)31-17/h1-9,18-21,23-24,26-28H,10H2/t18-,19-,20+,21-,23-/m1/s1
InChi Key : InChIKey=DJCDSGSDGQRCIB-ZFVIQDPVSA-N
PubChem ID : 101731478
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 9 Ionization potential : 9.151018
Hydrogen bond donor count : 4 Electric dipole moment : 6.387
XLogP : 0.28 VDW volume : 367.265724
Molecular weight : 440.110732 HOMO-LUMO gap : 8.072000
Herb list :
Refrences & Litretures:
  
139.      Journal:'Res. J. Seed Sci'      Year:'2010'      Volume:'3'      Page:'210'      DOI:''      Title:'Bioactive Non-alkaloidal Secondary Metabolites of Hyoscyamus niger Linn. Seeds: A Review'
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