6-O-(2-O-p-methoxy-trans-cinnamoyl-4-O-asetyl)-alpha-L-rhamnopyranosylcatalpol

ScientificNameLabel

6-O-(2-O-p-methoxy-trans-cinnamoyl-4-O-asetyl)-alpha-L-rhamnopyranosylcatalpol
PHCD compound ID :	2738
Chemical Names :	6-O-(2-O-p-methoxy-trans-cinnamoyl-4-O-asetyl)-alpha-L-rhamnopyranosylcatalpol
Molecular Formula :	C33H42O17
Molecular Weight :	710.2422

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)OC(=O)C)[C@@H]([C@H]([C@@H]1O)O)O
InChi :	InChI=1S/C33H42O17/c1-14-26(45-15(2)36)25(41)28(47-20(37)9-6-16-4-7-17(42-3)8-5-16)32(44-14)48-27-18-10-11-43-30(21(18)33(13-35)29(27)50-33)49-31-24(40)23(39)22(38)19(12-34)46-31/h4-11,14,18-19,21-32,34-35,38-41H,12-13H2,1-3H3/b9-6+/t14-,18+,19+,21+,22+,23-,24+,25+,26-,27-,28+,29-,30-,31-,32-,33+/m0/s1
InChi Key :	InChIKey=DQXYZLQDZXPUFE-FZSGRBKRSA-N
PubChem ID :

Rotatable bond count :	13	Rule of five :	3
Hydrogen bond acceptor count :	17	Ionization potential :	9.195068
Hydrogen bond donor count :	6	Electric dipole moment :	7.616
XLogP :	-1.338	VDW volume :	625.263842
Molecular weight :	710.2422	HOMO-LUMO gap :	8.273000

Herb list :

Great mullein, Flannel mullein - Verbascum thapsus - گل ماهور اروپائی

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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