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ScientificNameLabel
isoswertianolin
PHCD compound ID : 2043
Chemical Names :
isoswertianolin
Molecular Formula : C20H20O11
Molecular Weight : 436.100561
More Details :
Names & Synonyms: 1,8-dihydroxy-3-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-xanthen-9-one , 1,8-dihydroxy-3-methoxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-9-xanthenone , 1,8-dihydroxy-3-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one , 5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methoxy-1,8-bis(oxidanyl)xanthen-9-one , 1,8-dihydroxy-3-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-xanthone
Smiles: OC[C@H]1O[C@@H](Oc2ccc(c3c2oc2cc(OC)cc(c2c3=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C20H20O11/c1-28-7-4-9(23)13-11(5-7)29-19-10(3-2-8(22)14(19)16(13)25)30-20-18(27)17(26)15(24)12(6-21)31-20/h2-5,12,15,17-18,20-24,26-27H,6H2,1H3/t12-,15-,17+,18-,20-/m1/s1
InChi Key : InChIKey=TYODMTITEULVMF-DIKOWXHZSA-N
PubChem ID : 5745358
Rotatable bond count : 4 Rule of five : 2
Hydrogen bond acceptor count : 11 Ionization potential : 9.036694
Hydrogen bond donor count : 6 Electric dipole moment : 5.508
XLogP : -0.2 VDW volume : 361.487599
Molecular weight : 436.100561 HOMO-LUMO gap : 8.252000
Herb list :
Refrences & Litretures:
  
243.      Journal:'Phytother. Res'      Year:'2015'      Volume:'29'      Page:'1'      DOI:'10.1002/ptr.5222'      Title:'Alhagi: A Plant Genus Rich in Bioactives for Pharmaceuticals'
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