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ScientificNameLabel
Stigmasterol-3-O-galactoside
PHCD compound ID : 508
Chemical Names :
Stigmasterol-3-O-galactoside , sitosterol 3-beta-D-glucoside , sitosterol 3-O-beta-glucoside , stigmasterol 3-O-beta-glucoside
Molecular Formula : C35H58O6
Molecular Weight : 574.42334
More Details :
Names & Synonyms: (2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol , (2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol , (2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol , (2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol
Smiles: CC[C@@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C
InChi : InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
InChi Key : InChIKey=VWDLOXMZIGUBKM-AUGXRQBFSA-N
PubChem ID : 6602508
Rotatable bond count : 8 Rule of five : 1
Hydrogen bond acceptor count : 6 Ionization potential : 9.215917
Hydrogen bond donor count : 4 Electric dipole moment : 0.811
XLogP : 9.963 VDW volume : 599.60207
Molecular weight : 574.42334 HOMO-LUMO gap : 10.481000
Herb list :
Refrences & Litretures:
  
31.      Journal:'Global Journal of Pharmacology'      Year:'2013'      Volume:'7'      Page:'377'      DOI:'10.5829/idosi.gjp.2013.7.4.1114'      Title:'Steryl Glycosides, Lipoidal Matter and Volatile Constituents of Urtica pilulifera'
441.      Journal:'Phytochemistry'      Year:'2008'      Volume:'69'      Page:'473'      DOI:'10.1016/j.phytochem.2007.08.001'      Title:'Polar secondary metabolites of Ferula persica roots'
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