Triptexanthoside C

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL466536
PubChem:	10552156
IUPAC:	1,8-dihydroxy-5,6-dimethoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
Standard InChI:	InChI=1S/C21H22O12/c1-29-10-5-7(23)12-16(26)13-8(31-20(12)19(10)30-2)3-4-9(14(13)24)32-21-18(28)17(27)15(25)11(6-22)33-21/h3-5,11,15,17-18,21-25,27-28H,6H2,1-2H3/t11-,15-,17+,18-,21-/m1/s1
Standard InChI Key:	MQLIUXPJHVQKKI-UVPJDIOGSA-N
SMILES:	OC[C@H]1O[C@@H](Oc2ccc3c(c2O)c(=O)c2c(o3)c(OC)c(cc2O)OC)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties
AlogP:	-0.45
Hydrogen bonds acceptors:	12
Hydrogen bonds donors:	6
Rotatable bonds:	5
Number of rings:	4
Molecular Weight:	466.11
Topological polar surface area:	185
Number of aromatic rings:	3
Fsp3:	0.381
Number of carbons:	21

Plant sources

Part of plant	Plant name	Ref.
Plant	Pimpinella major

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.