[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3,5,6-trihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL497893
PubChem:	11318115
IUPAC:	[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3,5,6-trihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate
Standard InChI:	InChI=1S/C23H22O13/c1-8(24)33-7-13-16(27)19(30)21(32)23(36-13)35-12-6-11-14(17(28)15(12)26)18(29)20(31)22(34-11)9-2-4-10(25)5-3-9/h2-6,13,16,19,21,23,25-28,30-32H,7H2,1H3/t13-,16-,19+,21-,23-/m1/s1
Standard InChI Key:	SCWWMMAIPAUYGU-SDBRSXMQSA-N
SMILES:	CC(=O)OC[C@H]1O[C@@H](Oc2cc3oc(c4ccc(cc4)O)c(c(=O)c3c(c2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties
AlogP:	0.03
Hydrogen bonds acceptors:	13
Hydrogen bonds donors:	7
Rotatable bonds:	5
Number of rings:	4
Molecular Weight:	506.11
Topological polar surface area:	213
Number of aromatic rings:	3
Fsp3:	0.304
Number of carbons:	23

Plant sources

Part of plant	Plant name	Ref.
Plant	Rhaponticum carthamoides

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.