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ScientificNameLabel
Majoroside
PHCD compound ID : 1195
Chemical Names :
Majoroside
Molecular Formula : C17H24O10
Molecular Weight : 388.136947
More Details :
Names & Synonyms: methyl (1S,6S)-6-hydroxy-7-methyl-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-methyl-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-methyl-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)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methyl-6-oxidanyl-1,4a,5,6-tetrahydrocyclopenta[c]pyran-4-carboxylate , (1S,6S)-6-hydroxy-7-methyl-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(C)[C@H](C3)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5,7,9-10,12-14,16-22H,3-4H2,1-2H3/t7-,9+,10-,12-,13+,14-,16+,17+/m1/s1
InChi Key : InChIKey=FTOKJPLQUSVDHI-FLPGDQPCSA-N
PubChem ID : 5319221
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 10 Ionization potential : 9.618575
Hydrogen bond donor count : 5 Electric dipole moment : 2.272
XLogP : -1.963 VDW volume : 345.511712
Molecular weight : 388.136947 HOMO-LUMO gap : 9.616000
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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