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ScientificNameLabel
Sweroside
PHCD compound ID : 5692
Chemical Names :
Sweroside
Molecular Formula : C16H22O9
Molecular Weight : 358.126382
More Details :
Names & Synonyms: (3S,4R,4aS)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-vinyl-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one , (3S,4R,4aS)-4-ethenyl-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one , (3S,4R,4aS)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one , (3S,4R,4aS)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one , (3S,4R,4aS)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one , (3S,4R,4aS)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4-vinyl-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one
Smiles: C=C[C@H]1[C@@H](OC=C2[C@H]1CCOC2=O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
InChi : InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1
InChi Key : InChIKey=VSJGJMKGNMDJCI-ZASXJUAOSA-N
PubChem ID : 161036
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 9 Ionization potential : 9.987423
Hydrogen bond donor count : 4 Electric dipole moment : 5.520
XLogP : -0.453 VDW volume : 319.425501
Molecular weight : 358.126382 HOMO-LUMO gap : 9.791000
Herb list :
Refrences & Litretures:
  
968.      Journal:'CHEMISTRY & BIODIVERSITY'      Year:'2011'      Volume:'8'      Page:'414'      DOI:'10.1002/cbdv.201000022'      Title:'Phytochemicals and Biological Activities of Dipsacus Species'
971.      Journal:'Journal of Natural Prodvrs'      Year:'1993'      Volume:'56'      Page:'1486'      DOI:'10.1021/np50099a007'      Title:'NEW BIS-IRIDOIDS FROM DIPSACUS LACINIATUS'
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