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ScientificNameLabel
galactan
PHCD compound ID : 3824
Chemical Names :
galactan
Molecular Formula : C20H36O16
Molecular Weight : 532.200335
More Details :
Names & Synonyms: (2S,3R,4R,5R,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)-5-methoxy-tetrahydropyran-3,4-diol , (2S,3R,4R,5R,6R)-2-[[(2R,3R,4R,5R,6S)-6-[[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-3-oxanyl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol , (2S,3R,4R,5R,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol , (2S,3R,4R,5R,6R)-6-(hydroxymethyl)-2-[(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-5-methoxy-oxane-3,4-diol , (2S,3R,4R,5R,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methoxy-2-methylol-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-5-methoxy-6-methylol-tetrahydropyran-3,4-diol
Smiles: OC[C@H]1O[C@@H](O[C@H]2[C@@H](CO)O[C@H]([C@@H]([C@H]2O)O)OC)[C@@H]([C@H]([C@H]1O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)OC)O)O
InChi : InChI=1S/C20H36O16/c1-30-15-6(3-21)33-19(13(28)9(15)24)36-17-8(5-23)34-20(14(29)11(17)26)35-16-7(4-22)32-18(31-2)12(27)10(16)25/h6-29H,3-5H2,1-2H3/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15+,16+,17+,18-,19+,20+/m1/s1
InChi Key : InChIKey=HYRUXGRHTJRKNG-SMBWEDIMSA-N
PubChem ID : 16218585
Rotatable bond count : 9 Rule of five : 2
Hydrogen bond acceptor count : 16 Ionization potential : 9.725166
Hydrogen bond donor count : 9 Electric dipole moment : 7.479
XLogP : -5.878 VDW volume : 458.050402
Molecular weight : 532.200335 HOMO-LUMO gap : 10.779000
Herb list :
Refrences & Litretures:
  
514.      Journal:'Int J Biol Med Res'      Year:'2011'      Volume:'2'      Page:'466'      DOI:''      Title:'Aloe vera their chemicals composition and applications: A review'
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