N-cis-feruloyl tyramine-4'''-O-beta-D-glucopyranoside

AlkaPlorer ID: AK019900

Synonym: "N-trans-feruloyl tyramine-4'''-O-beta-D-glucopyranoside"

IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]prop-2-enamide

Structure

SMILES: COC1=CC(/C=C/C(O)=NCCC2=CC=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2)=CC=C1O

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InChI: InChI=1S/C24H29NO9/c1-32-18-12-15(4-8-17(18)27)5-9-20(28)25-11-10-14-2-6-16(7-3-14)33-24-23(31)22(30)21(29)19(13-26)34-24/h2-9,12,19,21-24,26-27,29-31H,10-11,13H2,1H3,(H,25,28)/b9-5+/t19-,21-,22+,23-,24-/m1/s1

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InChIKey: VVTVHDZQFUALQV-WNENLGFLSA-N

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Source

Properties Information

Molecule Weight: 475.4940000000001

TPSA: 161.43

MolLogP: 0.7918999999999994

Number of H-Donors: 6

Number of H-Acceptors: 9

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information