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ScientificNameLabel
tricin-7-O-neohesperidoside
PHCD compound ID : 4635
Chemical Names :
tricin-7-O-neohesperidoside
Molecular Formula : C29H34O16
Molecular Weight : 638.184685
More Details :
Names & Synonyms: 7-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromen-4-one , 7-[[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,4S,5R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyran-4-one , 7-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one , 2-(3,5-dimethoxy-4-oxidanyl-phenyl)-7-[(2S,4S,5S)-6-(hydroxymethyl)-3-[(2S,4S,5R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one , 7-[(2S,4S,5S)-4,5-dihydroxy-6-methylol-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromone
Smiles: OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2cc(OC)c(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](C)[C@@H]([C@@H]([C@H]1O)O)O
InChi : InChI=1S/C29H34O16/c1-10-21(33)24(36)26(38)28(41-10)45-27-25(37)23(35)19(9-30)44-29(27)42-12-6-13(31)20-14(32)8-15(43-16(20)7-12)11-4-17(39-2)22(34)18(5-11)40-3/h4-8,10,19,21,23-31,33-38H,9H2,1-3H3/t10-,19-,21+,23-,24+,25+,26-,27-,28+,29-/m1/s1
InChi Key : InChIKey=AIBMPOJXBGZIPQ-QBLTUPCVSA-N
PubChem ID : 44258269
Rotatable bond count : 8 Rule of five : 2
Hydrogen bond acceptor count : 16 Ionization potential : 8.976903
Hydrogen bond donor count : 8 Electric dipole moment : 4.133
XLogP : -0.522 VDW volume : 546.109677
Molecular weight : 638.184685 HOMO-LUMO gap : 7.951000
Herb list :
Refrences & Litretures:
  
724.      Journal:'J. Braz. Chem. Soc'      Year:'2008'      Volume:'19'      Page:'903'      DOI:''      Title:'HPLC Microfractionation of Flavones and Antioxidant (Radical Scavenging) Activity of Saccharum officinarum L'
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