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ScientificNameLabel
neoalosin A
PHCD compound ID : 3820
Chemical Names :
neoalosin A
Molecular Formula : C19H22O9
Molecular Weight : 394.126382
More Details :
Names & Synonyms: 2-acetonyl-8-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-7-hydroxy-5-methyl-chromen-4-one , 8-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2-oxolanyl]-7-hydroxy-5-methyl-2-(2-oxopropyl)-1-benzopyran-4-one , 8-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]-7-hydroxy-5-methyl-2-(2-oxopropyl)chromen-4-one , 8-[(2R,3R,4R,5R)-5-[(1R)-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-5-methyl-7-oxidanyl-2-(2-oxidanylidenepropyl)chromen-4-one , 2-acetonyl-8-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-7-hydroxy-5-methyl-chromone
Smiles: OC[C@H]([C@H]1O[C@@H]([C@@H]([C@H]1O)O)c1c(O)cc(c2c1oc(CC(=O)C)cc2=O)C)O
InChi : InChI=1S/C19H22O9/c1-7-3-10(22)14(19-16(26)15(25)17(28-19)12(24)6-20)18-13(7)11(23)5-9(27-18)4-8(2)21/h3,5,12,15-17,19-20,22,24-26H,4,6H2,1-2H3/t12-,15-,16-,17-,19-/m1/s1
InChi Key : InChIKey=DAISPADBXDGVDW-QLXPXKAKSA-N
PubChem ID : 102445577
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 9 Ionization potential : 9.380832
Hydrogen bond donor count : 5 Electric dipole moment : 4.254
XLogP : -1.545 VDW volume : 352.504079
Molecular weight : 394.126382 HOMO-LUMO gap : 8.816000
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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