Skip Navigation Links
ScientificNameLabel
Pongamoside D
PHCD compound ID : 1310
Chemical Names :
Pongamoside D
Molecular Formula : C23H22O11
Molecular Weight : 474.116212
More Details :
Names & Synonyms: 2-(1,3-benzodioxol-5-yl)-3-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one , 2-(1,3-benzodioxol-5-yl)-3-methoxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one , 2-(1,3-benzodioxol-5-yl)-3-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one , 2-(1,3-benzodioxol-5-yl)-7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methoxy-chromen-4-one , 2-(1,3-benzodioxol-5-yl)-3-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone
Smiles: OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(c(c3=O)OC)c2ccc3c(c2)OCO3)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C23H22O11/c1-29-22-17(25)12-4-3-11(32-23-20(28)19(27)18(26)16(8-24)34-23)7-14(12)33-21(22)10-2-5-13-15(6-10)31-9-30-13/h2-7,16,18-20,23-24,26-28H,8-9H2,1H3/t16-,18-,19+,20-,23-/m1/s1
InChi Key : InChIKey=RQSSRCUNGIYPIQ-PUIBNRJISA-N
PubChem ID : 101731481
Rotatable bond count : 5 Rule of five : 1
Hydrogen bond acceptor count : 11 Ionization potential : 8.584195
Hydrogen bond donor count : 4 Electric dipole moment : 2.951
XLogP : 0.641 VDW volume : 398.382636
Molecular weight : 474.116212 HOMO-LUMO gap : 7.716000
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us