Phyto4Health

Campneoside

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL450295
PubChem: 5315651
IUPAC: [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)-2-methoxyethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Standard InChI: InChI=1S/C30H38O16/c1-13-23(37)24(38)25(39)30(43-13)46-28-26(40)29(42-12-21(41-2)15-5-7-17(33)19(35)10-15)44-20(11-31)27(28)45-22(36)8-4-14-3-6-16(32)18(34)9-14/h3-10,13,20-21,23-35,37-40H,11-12H2,1-2H3/b8-4+/t13-,20+,21?,23-,24+,25+,26+,27+,28+,29+,30-/m0/s1
Standard InChI Key: OWIYIDLFNMCIFO-HGTLEYCVSA-N
SMILES: OC[C@H]1O[C@@H](OCC(c2ccc(c(c2)O)O)OC)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O

Molecular propeties

AlogP: -0.87
Hydrogen bonds acceptors: 16
Hydrogen bonds donors: 9
Rotatable bonds: 11
Number of rings: 4
Molecular Weight: 654.22
Topological polar surface area: 255
Number of aromatic rings: 2
Fsp3: 0.5
Number of carbons: 30

Plant sources

Part of plant Plant name Ref.
PlantSesamum indicum
PlantSesamum indicum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.