Skip Navigation Links
ScientificNameLabel
Atroposide A
PHCD compound ID : 1311
Chemical Names :
Atroposide A
Molecular Formula : C33H54O8
Molecular Weight : 578.381869
More Details :
Names & Synonyms:
Smiles: OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@H]2C[C@H]2[C@@H]3[C@H](C)[C@]3(O2)CC[C@H](CO3)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3/t17-,18+,19+,20+,21-,22+,23+,24+,25-,26+,27-,28+,29-,30-,31+,32+,33-/m1/s1
InChi Key : InChIKey=ZNEIIZNXGCIAAL-WILLDVSMSA-N
PubChem ID :
Rotatable bond count : 3 Rule of five : 1
Hydrogen bond acceptor count : 8 Ionization potential : 9.741091
Hydrogen bond donor count : 4 Electric dipole moment : 2.945
XLogP : 6.198 VDW volume : 563.150554
Molecular weight : 578.381869 HOMO-LUMO gap : 11.034000
Herb list :
Refrences & Litretures:
  
139.      Journal:'Res. J. Seed Sci'      Year:'2010'      Volume:'3'      Page:'210'      DOI:''      Title:'Bioactive Non-alkaloidal Secondary Metabolites of Hyoscyamus niger Linn. Seeds: A Review'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us