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persicaosides A
PHCD compound ID : 3177
Chemical Names :
persicaosides A
Molecular Formula : C36H52O15
Molecular Weight : 724.330621
More Details :
Names & Synonyms: 7-[[(1S,2R,4aS,6R,8aR)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]methoxy]chromen-2-one , 7-[[(1S,2R,4aS,6R,8aR)-6-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-1-benzopyran-2-one , 7-[[(1S,2R,4aS,6R,8aR)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one , 7-[[(1S,2R,4aS,6R,8aR)-6-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2,5,5,8a-tetramethyl-2-oxidanyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one , 7-[[(1S,2R,4aS,6R,8aR)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]methoxy]coumarin
Smiles: OC[C@H]1O[C@@H](O[C@@H]2CC[C@@]3([C@@H](C2(C)C)CC[C@@]([C@@H]3COc2ccc3c(c2)oc(=O)cc3)(C)O)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
InChi : InChI=1S/C36H52O15/c1-34(2)22-9-12-36(4,45)23(16-46-18-7-5-17-6-8-25(39)47-19(17)13-18)35(22,3)11-10-24(34)50-33-31(29(43)27(41)21(15-38)49-33)51-32-30(44)28(42)26(40)20(14-37)48-32/h5-8,13,20-24,26-33,37-38,40-45H,9-12,14-16H2,1-4H3/t20-,21-,22-,23-,24-,26-,27-,28+,29+,30-,31-,32+,33+,35-,36-/m1/s1
InChi Key : InChIKey=OFLXEMCIQLXHKB-HKPFAVOZSA-N
PubChem ID : 101840038
Rotatable bond count : 9 Rule of five : 2
Hydrogen bond acceptor count : 15 Ionization potential : 9.169162
Hydrogen bond donor count : 8 Electric dipole moment : 10.090
XLogP : 0.843 VDW volume : 664.84426
Molecular weight : 724.330621 HOMO-LUMO gap : 8.208000
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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