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Camellianin A
PHCD compound ID : 3246
Chemical Names :
Camellianin A
Molecular Formula : C29H32O15
Molecular Weight : 620.17412
More Details :
Names & Synonyms: [(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-5-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate , acetic acid [(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-5-yl]oxy]-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]methyl ester , [(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-5-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate , [(2R,3S,4R,5R,6S)-6-[2-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-yl]oxy-3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]methyl ethanoate , acetic acid [(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-4-keto-chromen-5-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl ester
Smiles: CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(=O)cc(o3)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O
InChi : InChI=1S/C29H32O15/c1-11-22(34)23(35)25(37)28(40-11)44-27-20(10-39-12(2)30)43-29(26(38)24(27)36)42-19-8-15(32)7-18-21(19)16(33)9-17(41-18)13-3-5-14(31)6-4-13/h3-9,11,20,22-29,31-32,34-38H,10H2,1-2H3/t11-,20+,22-,23+,24+,25+,26+,27+,28-,29+/m0/s1
InChi Key : InChIKey=RHJULGLSOARXMO-YXRGHUGASA-N
PubChem ID : 5487343
Rotatable bond count : 8 Rule of five : 2
Hydrogen bond acceptor count : 15 Ionization potential : 9.286511
Hydrogen bond donor count : 7 Electric dipole moment : 3.582
XLogP : -0.691 VDW volume : 534.682992
Molecular weight : 620.17412 HOMO-LUMO gap : 8.549000
Herb list :
Refrences & Litretures:
  
443.      Journal:'Food Chemistry'      Year:'2015'      Volume:'166'      Page:'179'      DOI:'10.1016/j.foodchem.2014.06.011'      Title:'HPLC–DAD–ESI-MS/MS screening of bioactive components from Rhus coriaria L. (Sumac) fruits'
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