Kaempferol-3-O-glucosyl-7-O-(6"-O-malonyl)-glucoside

ScientificNameLabel

Kaempferol-3-O-glucosyl-7-O-(6"-O-malonyl)-glucoside
PHCD compound ID :	4057
Chemical Names :	Kaempferol-3-O-glucosyl-7-O-(6"-O-malonyl)-glucoside
Molecular Formula :	C31H34O20
Molecular Weight :	726.164343

More Details :

Names & Synonyms:
Smiles:	OC[C@H]1O[C@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O[C@@H]2O[C@H](COCOC(=O)CC(=O)O)[C@@H]([C@@H]([C@@H]2O)O)O)c2ccc(cc2)O)[C@H]([C@@H]([C@@H]1O)O)O
InChi :	InChI=1S/C31H34O20/c32-8-16-21(38)24(41)27(44)31(49-16)51-29-23(40)20-14(34)5-13(6-15(20)48-28(29)11-1-3-12(33)4-2-11)47-30-26(43)25(42)22(39)17(50-30)9-45-10-46-19(37)7-18(35)36/h1-6,16-17,21-22,24-27,30-34,38-39,41-44H,7-10H2,(H,35,36)/t16-,17-,21-,22+,24-,25+,26+,27+,30-,31-/m1/s1
InChi Key :	InChIKey=HVAVWLIABKQQRS-RFUUWYBTSA-N
PubChem ID :

Rotatable bond count :	13	Rule of five :	3
Hydrogen bond acceptor count :	20	Ionization potential :	9.279147
Hydrogen bond donor count :	10	Electric dipole moment :	3.555
XLogP :	-1.516	VDW volume :	610.589636
Molecular weight :	726.164343	HOMO-LUMO gap :	8.104000

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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