Skip Navigation Links
ScientificNameLabel
Deoxycorticosterone glucoside
PHCD compound ID : 3266
Chemical Names :
Deoxycorticosterone glucoside
Molecular Formula : C27H40O8
Molecular Weight : 492.272318
More Details :
Names & Synonyms: (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyacetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one , (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[1-oxo-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]ethyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one , (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one , (8S,9S,10R,13S,14S,17S)-17-[2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethanoyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one , (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyacetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Smiles: OC[C@H]1O[C@@H](OCC(=O)[C@H]2CC[C@@H]3[C@]2(C)CC[C@H]2[C@H]3CCC3=CC(=O)CC[C@]23C)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C27H40O8/c1-26-9-7-15(29)11-14(26)3-4-16-17-5-6-19(27(17,2)10-8-18(16)26)20(30)13-34-25-24(33)23(32)22(31)21(12-28)35-25/h11,16-19,21-25,28,31-33H,3-10,12-13H2,1-2H3/t16-,17-,18-,19+,21+,22+,23-,24+,25+,26-,27-/m0/s1
InChi Key : InChIKey=SMSMUZPFFJLROV-LARVYCNESA-N
PubChem ID : 9983130
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 8 Ionization potential : 9.784026
Hydrogen bond donor count : 4 Electric dipole moment : 3.444
XLogP : 2.681 VDW volume : 476.178188
Molecular weight : 492.272318 HOMO-LUMO gap : 9.774000
Herb list :
Refrences & Litretures:
  
443.      Journal:'Food Chemistry'      Year:'2015'      Volume:'166'      Page:'179'      DOI:'10.1016/j.foodchem.2014.06.011'      Title:'HPLC–DAD–ESI-MS/MS screening of bioactive components from Rhus coriaria L. (Sumac) fruits'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us