Kaempferide-3-O-(6"-O-malonyl)-glucoside

ScientificNameLabel

Kaempferide-3-O-(6"-O-malonyl)-glucoside
PHCD compound ID :	4079
Chemical Names :	Kaempferide-3-O-(6"-O-malonyl)-glucoside
Molecular Formula :	C25H24O14
Molecular Weight :	548.116605

More Details :

Names & Synonyms:
Smiles:	COc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O[C@@H]1O[C@H](COC(=O)CC(=O)O)[C@H]([C@@H]([C@@H]1O)O)O)O
InChi :	InChI=1S/C25H24O14/c1-35-12-4-2-10(3-5-12)23-24(20(32)18-13(27)6-11(26)7-14(18)37-23)39-25-22(34)21(33)19(31)15(38-25)9-36-17(30)8-16(28)29/h2-7,15,19,21-22,25-27,31,33-34H,8-9H2,1H3,(H,28,29)/t15-,19-,21+,22+,25+/m1/s1
InChi Key :	InChIKey=VTKKHSIXZITWJH-WSDZEORCSA-N
PubChem ID :

Rotatable bond count :	9	Rule of five :	2
Hydrogen bond acceptor count :	14	Ionization potential :	9.092184
Hydrogen bond donor count :	6	Electric dipole moment :	2.582
XLogP :	0.164	VDW volume :	466.428826
Molecular weight :	548.116605	HOMO-LUMO gap :	8.030000

Herb list :

Chicory, Succory - Cichorium intybus - کاسنی

Refrences & Litretures:


559. Journal:'Evidence-Based Complementary and Alternative Medicine' Year:'2013' Volume:'' Page:'579319' DOI:'10.1155/2013/579319' Title:'Cichorium intybus: Traditional Uses, Phytochemistry, Pharmacology, and Toxicology'

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