Skip Navigation Links
ScientificNameLabel
Rhamnetin 3-O-Gentiobioside
PHCD compound ID : 4008
Chemical Names :
Rhamnetin 3-O-Gentiobioside
Molecular Formula : C28H32O17
Molecular Weight : 640.16395
More Details :
Names & Synonyms: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one , 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-[[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one , 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one , 2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,4S,5S)-6-[[(2R,4S,5S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methoxy-5-oxidanyl-chromen-4-one , 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromone
Smiles: OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4c(c3=O)c(O)cc(c4)OC)c3ccc(c(c3)O)O)[C@H]([C@H]([C@@H]2O)O)O)[C@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C28H32O17/c1-40-10-5-13(32)17-14(6-10)42-25(9-2-3-11(30)12(31)4-9)26(20(17)35)45-28-24(39)22(37)19(34)16(44-28)8-41-27-23(38)21(36)18(33)15(7-29)43-27/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3/t15-,16-,18-,19-,21+,22+,23+,24+,27-,28+/m1/s1
InChi Key : InChIKey=VVNAVFMRGMPHSJ-VVJCJLKHSA-N
PubChem ID : 44259599
Rotatable bond count : 8 Rule of five : 2
Hydrogen bond acceptor count : 17 Ionization potential : 8.992374
Hydrogen bond donor count : 10 Electric dipole moment : 5.446
XLogP : -1.117 VDW volume : 537.603919
Molecular weight : 640.16395 HOMO-LUMO gap : 8.015000
Herb list :
Refrences & Litretures:
  
549.      Journal:'African Journal of Biotechnology'      Year:'2005'      Volume:'4'      Page:'1530'      DOI:''      Title:'Phytochemical constituents of Cassia fistula'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us