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Icariside D1
PHCD compound ID : 4464
Chemical Names :
Icariside D1
Molecular Formula : C19H28O10
Molecular Weight : 416.168247
More Details :
Names & Synonyms: (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-6-(2-phenylethoxy)tetrahydropyran-3,4,5-triol , (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)-2-oxolanyl]oxymethyl]-6-(2-phenylethoxy)oxane-3,4,5-triol , (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2-phenylethoxy)oxane-3,4,5-triol , (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-4-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-6-(2-phenylethoxy)oxane-3,4,5-triol , (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-methylol-tetrahydrofuran-2-yl]oxymethyl]-6-phenethoxy-tetrahydropyran-3,4,5-triol
Smiles: OC[C@@]1(O)CO[C@H]([C@@H]1O)OC[C@H]1O[C@@H](OCCc2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C19H28O10/c20-9-19(25)10-28-18(16(19)24)27-8-12-13(21)14(22)15(23)17(29-12)26-7-6-11-4-2-1-3-5-11/h1-5,12-18,20-25H,6-10H2/t12-,13-,14+,15-,16+,17-,18-,19-/m1/s1
InChi Key : InChIKey=GZSQKOFXMZDKPV-OTCFHACESA-N
PubChem ID : 13893575
Rotatable bond count : 8 Rule of five : 1
Hydrogen bond acceptor count : 10 Ionization potential : 9.231828
Hydrogen bond donor count : 6 Electric dipole moment : 2.483
XLogP : -1.272 VDW volume : 369.203681
Molecular weight : 416.168247 HOMO-LUMO gap : 9.725000
Herb list :
Refrences & Litretures:
  
658.      Journal:'Journal of Ethnopharmacology'      Year:'2007'      Volume:'109'      Page:'177'      DOI:'10.1016/j.jep.2006.09.006'      Title:'Punica granatum (pomegranate) and its potential for prevention and treatment of in?ammation and cancer'
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