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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036002

Kaempferol 3-feruloyl-triglucoside

Formula: C43H50O25  |  Mol. Weight: 966.80 g/mol

IUPAC: 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Overview

Molecular Formula C43H50O25
Molecular Weight 966.80 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)O)O)O)O)O.C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy