Skip Navigation Links
ScientificNameLabel
tricin-7-O-rhamnosylgalacturonide
PHCD compound ID : 4636
Chemical Names :
tricin-7-O-rhamnosylgalacturonide
Molecular Formula : C29H32O17
Molecular Weight : 652.16395
More Details :
Names & Synonyms: (3R,4S,6S)-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)-4-oxo-chromen-7-yl]oxy-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid , (3R,4S,6S)-3,4-dihydroxy-6-[[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-1-benzopyran-7-yl]oxy]-5-[[(2S,4S,5R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanecarboxylic acid , (3R,4S,6S)-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxy-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid , (3R,4S,6S)-6-[2-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxy-5-[(2S,4S,5R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxane-2-carboxylic acid , (3R,4S,6S)-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)-4-keto-chromen-7-yl]oxy-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid
Smiles: COc1cc(cc(c1O)OC)c1cc(=O)c2c(o1)cc(cc2O)O[C@@H]1O[C@@H](C(=O)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/C29H32O17/c1-9-19(32)21(34)24(37)28(42-9)46-26-23(36)22(35)25(27(38)39)45-29(26)43-11-6-12(30)18-13(31)8-14(44-15(18)7-11)10-4-16(40-2)20(33)17(5-10)41-3/h4-9,19,21-26,28-30,32-37H,1-3H3,(H,38,39)/t9-,19-,21-,22+,23-,24+,25+,26+,28-,29+/m0/s1
InChi Key : InChIKey=CFWKEIXHBVWGIW-MOBNRBMQSA-N
PubChem ID : 44258270
Rotatable bond count : 8 Rule of five : 2
Hydrogen bond acceptor count : 17 Ionization potential : 9.049263
Hydrogen bond donor count : 8 Electric dipole moment : 6.608
XLogP : -0.365 VDW volume : 552.263445
Molecular weight : 652.16395 HOMO-LUMO gap : 7.931000
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us