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6-O-(2”-O-(p-methoxy-trans-cinnamoyl)-alpha-L-rhamnopyranosylcatalpol
PHCD compound ID : 2726
Chemical Names :
6-O-(2”-O-(p-methoxy-trans-cinnamoyl)-alpha-L-rhamnopyranosylcatalpol
Molecular Formula : C31H40O16
Molecular Weight : 668.231635
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(cc2)OC)O)O)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C31H40O16/c1-13-20(35)23(38)26(44-18(34)8-5-14-3-6-15(40-2)7-4-14)30(42-13)45-25-16-9-10-41-28(19(16)31(12-33)27(25)47-31)46-29-24(39)22(37)21(36)17(11-32)43-29/h3-10,13,16-17,19-30,32-33,35-39H,11-12H2,1-2H3/b8-5+/t13-,16+,17+,19+,20-,21+,22-,23+,24+,25-,26+,27-,28-,29-,30-,31+/m0/s1
InChi Key : InChIKey=LLIQKSHHYOJCRY-QVPDUFJHSA-N
PubChem ID :
Rotatable bond count : 11 Rule of five : 3
Hydrogen bond acceptor count : 16 Ionization potential : 9.205891
Hydrogen bond donor count : 7 Electric dipole moment : 5.401
XLogP : -1.649 VDW volume : 584.518105
Molecular weight : 668.231635 HOMO-LUMO gap : 8.162000
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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