Skip Navigation Links
ScientificNameLabel
1-hydroxy-2-hydroxymethylanthraquinone 3-glucoside
PHCD compound ID : 2869
Chemical Names :
1-hydroxy-2-hydroxymethylanthraquinone 3-glucoside
Molecular Formula : C21H20O10
Molecular Weight : 432.105647
More Details :
Names & Synonyms:
Smiles: OC[C@H]1O[C@@H](Oc2cc3C(=O)c4ccccc4C(=O)c3c(c2CO)O)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C21H20O10/c22-6-11-12(30-21-20(29)19(28)18(27)13(7-23)31-21)5-10-14(17(11)26)16(25)9-4-2-1-3-8(9)15(10)24/h1-5,13,18-23,26-29H,6-7H2/t13-,18-,19+,20-,21-/m1/s1
InChi Key : InChIKey=HJEFZICGRGZBDD-PTKNJCLRSA-N
PubChem ID :
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 10 Ionization potential : 9.596554
Hydrogen bond donor count : 6 Electric dipole moment : 3.694
XLogP : -1.105 VDW volume : 367.356898
Molecular weight : 432.105647 HOMO-LUMO gap : 8.003000
Herb list :
Refrences & Litretures:
  
360.      Journal:'Int J Adv Biol Biom Res'      Year:'2013'      Volume:'1'      Page:'1315'      DOI:''      Title:'Rubia tinctorum L. (Rubiaceae) or Madder as one of the living color to dyeing wool'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us