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ScientificNameLabel
isoschaftoside
PHCD compound ID : 539
Chemical Names :
isoschaftoside
Molecular Formula : C26H28O14
Molecular Weight : 564.147906
More Details :
Names & Synonyms: 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]chromen-4-one , 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxy-2-oxanyl]-1-benzopyran-4-one , 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one , 8-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-6-[(2S,3R,4S,5S)-3,4,5-tris(oxidanyl)oxan-2-yl]chromen-4-one , 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]chromone
Smiles: OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)c([C@@H]2OC[C@@H]([C@@H]([C@H]2O)O)O)c(c2c1oc(cc2=O)c1ccc(cc1)O)O
InChi : InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1
InChi Key : InChIKey=OVMFOVNOXASTPA-VYUBKLCTSA-N
PubChem ID : 3084995
Rotatable bond count : 4 Rule of five : 2
Hydrogen bond acceptor count : 14 Ionization potential : 9.406062
Hydrogen bond donor count : 10 Electric dipole moment : 2.965
XLogP : -2.309 VDW volume : 476.64127
Molecular weight : 564.147906 HOMO-LUMO gap : 8.305000
Herb list :
Refrences & Litretures:
  
33.      Journal:'J. Agric. Food Chem'      Year:'2014'      Volume:'62'      Page:'10076'      DOI:'10.1021/jf5025938'      Title:'Identi?cation of Phenylpropanoids in Fig (Ficus carica L.) Leaves'
173.      Journal:'Food and Chemical Toxicology'      Year:'2009'      Volume:'47'      Page:'1372'      DOI:'10.1016/j.fct.2009.03.017'      Title:'Protective effect of quince (Cydonia oblonga Miller) fruit against oxidative hemolysis of human erythrocytes'
630.      Journal:'Phytomedicine'      Year:'2010'      Volume:'17'      Page:'940'      DOI:'10.1016/j.phymed.2010.03.002'      Title:'Passiflora incarnata L. (Passionflower) extracts elicit GABA currents in hippocampal neurons in vitro, and show anxiogenic and anticonvulsant effects in vivo, varying with extraction method'
631.      Journal:'Phcog Rev'      Year:'2009'      Volume:'3'      Page:'186'      DOI:''      Title:'Passiflora Incarnata Linn: A Review on Morphology, Phytochemistry and Pharmacological Aspects'
724.      Journal:'J. Braz. Chem. Soc'      Year:'2008'      Volume:'19'      Page:'903'      DOI:''      Title:'HPLC Microfractionation of Flavones and Antioxidant (Radical Scavenging) Activity of Saccharum officinarum L'
952.      Journal:'International Journal of Chemical and Biochemical Sciences'      Year:'2016'      Volume:'9'      Page:'111'      DOI:''      Title:'A review on phytopharmacological properties of Bisfaij'
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