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ScientificNameLabel
8-C-glucosyl-(S)-aloesol
PHCD compound ID : 3815
Chemical Names :
8-C-glucosyl-(S)-aloesol
Molecular Formula : C19H24O9
Molecular Weight : 396.142032
More Details :
Names & Synonyms: 7-hydroxy-2-[(2S)-2-hydroxypropyl]-5-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one , 7-hydroxy-2-[(2S)-2-hydroxypropyl]-5-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one , 7-hydroxy-2-[(2S)-2-hydroxypropyl]-5-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one , 8-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5-methyl-7-oxidanyl-2-[(2S)-2-oxidanylpropyl]chromen-4-one , 7-hydroxy-2-[(2S)-2-hydroxypropyl]-5-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone
Smiles: OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc(c2c1oc(C[C@@H](O)C)cc2=O)C
InChi : InChI=1S/C19H24O9/c1-7-3-10(22)14(19-17(26)16(25)15(24)12(6-20)28-19)18-13(7)11(23)5-9(27-18)4-8(2)21/h3,5,8,12,15-17,19-22,24-26H,4,6H2,1-2H3/t8-,12+,15+,16-,17+,19-/m0/s1
InChi Key : InChIKey=AGFQQUGEUMRHOC-GVAGTRIRSA-N
PubChem ID : 101602076
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 9 Ionization potential : 9.595458
Hydrogen bond donor count : 6 Electric dipole moment : 1.069
XLogP : -1.001 VDW volume : 355.140537
Molecular weight : 396.142032 HOMO-LUMO gap : 8.904000
Herb list :
Refrences & Litretures:
  
514.      Journal:'Int J Biol Med Res'      Year:'2011'      Volume:'2'      Page:'466'      DOI:''      Title:'Aloe vera their chemicals composition and applications: A review'
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