Skip Navigation Links
ScientificNameLabel
10-Actoxymajoroside
PHCD compound ID : 1196
Chemical Names :
10-Actoxymajoroside
Molecular Formula : C19H26O12
Molecular Weight : 446.142426
More Details :
Names & Synonyms: methyl (1S,4aS,6S)-7-(acetoxymethyl)-6-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6-tetrahydrocyclopenta[c]pyran-4-carboxylate , (1S,4aS,6S)-7-(acetyloxymethyl)-6-hydroxy-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,4a,5,6-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester , methyl (1S,4aS,6S)-7-(acetyloxymethyl)-6-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6-tetrahydrocyclopenta[c]pyran-4-carboxylate , methyl (1S,4aS,6S)-7-(acetyloxymethyl)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-1,4a,5,6-tetrahydrocyclopenta[c]pyran-4-carboxylate , (1S,4aS,6S)-7-(acetoxymethyl)-6-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,6-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester
Smiles: OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3C2=C(COC(=O)C)[C@H](C3)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C19H26O12/c1-7(21)28-6-10-11(22)3-8-9(17(26)27-2)5-29-18(13(8)10)31-19-16(25)15(24)14(23)12(4-20)30-19/h5,8,11-12,14-16,18-20,22-25H,3-4,6H2,1-2H3/t8-,11+,12-,14-,15+,16-,18+,19+/m1/s1
InChi Key : InChIKey=ORQJUPOBILPJRX-UJZMKJDOSA-N
PubChem ID : 101006028
Rotatable bond count : 8 Rule of five : 1
Hydrogen bond acceptor count : 12 Ionization potential : 9.865980
Hydrogen bond donor count : 5 Electric dipole moment : 1.064
XLogP : -2.26 VDW volume : 395.047676
Molecular weight : 446.142426 HOMO-LUMO gap : 9.534000
Herb list :
Refrences & Litretures:
  
121.      Journal:'Journal of Ethnopharmacology'      Year:'2000'      Volume:'71'      Page:'1'      DOI:''      Title:'The traditional uses, chemical constituents and biological activities of Plantago major L. A review'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us