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persicaosides C
PHCD compound ID : 3179
Chemical Names :
persicaosides C
Molecular Formula : C36H52O15
Molecular Weight : 724.330621
More Details :
Names & Synonyms: 7-[(2E,6E)-10-hydroxy-3,7,11-trimethyl-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-dodeca-2,6-dienoxy]chromen-2-one , 7-[(2E,6E)-10-hydroxy-3,7,11-trimethyl-11-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy]dodeca-2,6-dienoxy]-1-benzopyran-2-one , 7-[(2E,6E)-10-hydroxy-3,7,11-trimethyl-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxydodeca-2,6-dienoxy]chromen-2-one , 7-[(2E,6E)-11-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,7,11-trimethyl-10-oxidanyl-dodeca-2,6-dienoxy]chromen-2-one , 7-[(2E,6E)-10-hydroxy-3,7,11-trimethyl-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-dodeca-2,6-dienoxy]coumarin
Smiles: OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC([C@H](CC/C(=C/CC/C(=C/COc3ccc4c(c3)oc(=O)cc4)/C)/C)O)(C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C36H52O15/c1-19(6-5-7-20(2)14-15-46-22-11-9-21-10-13-27(39)48-23(21)16-22)8-12-26(38)36(3,4)51-35-33(45)31(43)29(41)25(50-35)18-47-34-32(44)30(42)28(40)24(17-37)49-34/h6,9-11,13-14,16,24-26,28-35,37-38,40-45H,5,7-8,12,15,17-18H2,1-4H3/b19-6+,20-14+/t24-,25-,26+,28-,29-,30+,31+,32-,33-,34-,35+/m1/s1
InChi Key : InChIKey=NTYBUFNMERIJCQ-OGDAMKPWSA-N
PubChem ID : 101840040
Rotatable bond count : 16 Rule of five : 3
Hydrogen bond acceptor count : 15 Ionization potential : 9.072714
Hydrogen bond donor count : 8 Electric dipole moment : 4.960
XLogP : 0.902 VDW volume : 684.28426
Molecular weight : 724.330621 HOMO-LUMO gap : 8.160000
Herb list :
Refrences & Litretures:
  
441.      Journal:'Phytochemistry'      Year:'2008'      Volume:'69'      Page:'473'      DOI:'10.1016/j.phytochem.2007.08.001'      Title:'Polar secondary metabolites of Ferula persica roots'
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