Skip Navigation Links
ScientificNameLabel
Vulgarcoside A
PHCD compound ID : 5477
Chemical Names :
Vulgarcoside A
Molecular Formula : C31H54O11
Molecular Weight : 602.366613
More Details :
Names & Synonyms:
Smiles: OC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)CO[C@@H]([C@H]2O)OC/C=C(/CC[C@@]2(O)[C@H](C)CC[C@@H]3[C@]2(C)CCCC3(C)C)\C)[C@@H]([C@@H]([C@H]1O)O)O
InChi : InChI=1S/C31H54O11/c1-17(9-13-31(38)18(2)7-8-21-29(3,4)11-6-12-30(21,31)5)10-14-39-27-25(37)26(19(33)16-40-27)42-28-24(36)23(35)22(34)20(15-32)41-28/h10,18-28,32-38H,6-9,11-16H2,1-5H3/b17-10+/t18-,19+,20+,21+,22+,23-,24-,25+,26-,27+,28+,30+,31-/m1/s1
InChi Key : InChIKey=MCAQDZVSJHRNBE-QDJBOBTHSA-N
PubChem ID :
Rotatable bond count : 9 Rule of five : 2
Hydrogen bond acceptor count : 11 Ionization potential : 9.312457
Hydrogen bond donor count : 7 Electric dipole moment : 2.207
XLogP : 2.37 VDW volume : 589.362182
Molecular weight : 602.366613 HOMO-LUMO gap : 10.315000
Herb list :
Refrences & Litretures:
  
916.      Journal:'Natural Product Communications'      Year:'2014'      Volume:'9'      Page:'903'      DOI:'10.1177/1934578X1400900705'      Title:'Chemical Constituents of Marrubium vulgare as Potential Inhibitors of Nitric Oxide and Respiratory Burst'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us