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6–hydroxy musizin glycoside
PHCD compound ID : 3278
Chemical Names :
6–hydroxy musizin glycoside
Molecular Formula : C19H22O9
Molecular Weight : 394.126382
More Details :
Names & Synonyms: 1-[1,6-dihydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-naphthyl]ethanone , 1-[1,6-dihydroxy-3-methyl-8-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-naphthalenyl]ethanone , 1-[1,6-dihydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone , 1-[8-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-1,6-bis(oxidanyl)naphthalen-2-yl]ethanone , 1-[1,6-dihydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-naphthyl]ethanone
Smiles: OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(O)c(c(c3)C)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C19H22O9/c1-7-3-9-4-10(22)5-11(14(9)16(24)13(7)8(2)21)27-19-18(26)17(25)15(23)12(6-20)28-19/h3-5,12,15,17-20,22-26H,6H2,1-2H3/t12-,15-,17+,18-,19-/m1/s1
InChi Key : InChIKey=VJDBDVUFFPRHSF-JZXZQAMYSA-N
PubChem ID : 100753
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 9 Ionization potential : 8.714867
Hydrogen bond donor count : 6 Electric dipole moment : 2.669
XLogP : 0.392 VDW volume : 341.604079
Molecular weight : 394.126382 HOMO-LUMO gap : 7.971000
Herb list :
Refrences & Litretures:
  
445.      Journal:'JOURNAL OF NATURAL REMEDIES'      Year:'2002'      Volume:'2'      Page:'102'      DOI:'10.18311/jnr/2002/141'      Title:'A review of phytochemical studies of Cassia species'
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