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ScientificNameLabel
10-Hydroxymajoroside
PHCD compound ID : 1197
Chemical Names :
10-Hydroxymajoroside
Molecular Formula : C17H24O11
Molecular Weight : 404.131862
More Details :
Names & Synonyms: methyl (1S,6S)-6-hydroxy-7-(hydroxymethyl)-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,6S)-6-hydroxy-7-(hydroxymethyl)-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,6S)-6-hydroxy-7-(hydroxymethyl)-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,6S)-7-(hydroxymethyl)-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,6S)-6-hydroxy-7-methylol-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(CO)[C@H](C3)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C17H24O11/c1-25-15(24)8-5-26-16(11-6(8)2-9(20)7(11)3-18)28-17-14(23)13(22)12(21)10(4-19)27-17/h5-6,9-10,12-14,16-23H,2-4H2,1H3/t6-,9+,10-,12-,13+,14-,16+,17+/m1/s1
InChi Key : InChIKey=IWDXNCIWSRAIAR-OCGKWZSUSA-N
PubChem ID : 101085818
Rotatable bond count : 6 Rule of five : 2
Hydrogen bond acceptor count : 11 Ionization potential : 9.874634
Hydrogen bond donor count : 6 Electric dipole moment : 4.585
XLogP : -2.571 VDW volume : 354.301939
Molecular weight : 404.131862 HOMO-LUMO gap : 9.561000
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'
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