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ScientificNameLabel
6-O-(4”-O-p-coumaroyl)-alpha-L-rhamnopyranosylcatalpol
PHCD compound ID : 2725
Chemical Names :
6-O-(4”-O-p-coumaroyl)-alpha-L-rhamnopyranosylcatalpol
Molecular Formula : C30H38O16
Molecular Weight : 654.215985
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]2O)O)OC(=O)/C=C/c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C30H38O16/c1-12-24(43-17(34)7-4-13-2-5-14(33)6-3-13)21(37)23(39)28(41-12)44-25-15-8-9-40-27(18(15)30(11-32)26(25)46-30)45-29-22(38)20(36)19(35)16(10-31)42-29/h2-9,12,15-16,18-29,31-33,35-39H,10-11H2,1H3/b7-4+/t12-,15+,16+,18+,19+,20-,21-,22+,23+,24-,25-,26-,27-,28-,29-,30+/m0/s1
InChi Key : InChIKey=WYUMOABRAAEBAO-XMIJWRSESA-N
PubChem ID :
Rotatable bond count : 10 Rule of five : 2
Hydrogen bond acceptor count : 16 Ionization potential : 9.521747
Hydrogen bond donor count : 8 Electric dipole moment : 8.406
XLogP : -1.97 VDW volume : 567.22212
Molecular weight : 654.215985 HOMO-LUMO gap : 8.332000
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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