Phyto4Health

Gentiopicroside

Representations & DB's id

ChEBI: CHEBI:5321
ChEMBL: CHEMBL508320
PubChem: 88708
IUPAC: (3S,4R)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydro-3H-pyrano[3,4-c]pyran-8-one
Standard InChI: InChI=1S/C16H20O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2-3,6-7,10-13,15-20H,1,4-5H2/t7-,10-,11-,12+,13-,15+,16+/m1/s1
Standard InChI Key: DUAGQYUORDTXOR-GPQRQXLASA-N
SMILES: C=C[C@H]1[C@@H](OC=C2C1=CCOC2=O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O

Molecular propeties

AlogP: -1.67
Hydrogen bonds acceptors: 9
Hydrogen bonds donors: 4
Rotatable bonds: 4
Number of rings: 3
Molecular Weight: 356.11
Topological polar surface area: 135
Number of aromatic rings: 0
Fsp3: 0.562
Number of carbons: 16

Plant sources

Part of plant Plant name Ref.
RhizomaGentiana lutea

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.