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ScientificNameLabel
6-O-(2”-O-isoferuloyl)-alpha-L-rhamnopyranosylcatalpol
PHCD compound ID : 2734
Chemical Names :
6-O-(2”-O-isoferuloyl)-alpha-L-rhamnopyranosylcatalpol
Molecular Formula : C31H40O17
Molecular Weight : 684.22655
More Details :
Names & Synonyms:
Smiles: OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(CO)O[C@H]2[C@H]3O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2OC(=O)/C=C/c2ccc(c(c2)O)OC)O)O)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C31H40O17/c1-12-20(36)23(39)26(45-18(35)6-4-13-3-5-16(41-2)15(34)9-13)30(43-12)46-25-14-7-8-42-28(19(14)31(11-33)27(25)48-31)47-29-24(40)22(38)21(37)17(10-32)44-29/h3-9,12,14,17,19-30,32-34,36-40H,10-11H2,1-2H3/b6-4+/t12-,14+,17+,19+,20-,21+,22-,23+,24+,25-,26+,27-,28-,29-,30-,31+/m0/s1
InChi Key : InChIKey=LUCUVVSDSLWPMZ-YXEQPJNBSA-N
PubChem ID :
Rotatable bond count : 11 Rule of five : 3
Hydrogen bond acceptor count : 17 Ionization potential : 8.921976
Hydrogen bond donor count : 8 Electric dipole moment : 4.617
XLogP : -1.941 VDW volume : 593.308332
Molecular weight : 684.22655 HOMO-LUMO gap : 7.890000
Herb list :
Refrences & Litretures:
  
315.      Journal:'FABAD J. Pharm. Sci'      Year:'2004'      Volume:'29'      Page:'93'      DOI:''      Title:'Chemical Constituents of Verbascum L. Species'
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