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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003737

Anti-inflammatory agent 44

Formula: C43H48O25  |  Mol. Weight: 964.80 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-6-[3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Overview

Molecular Formula C43H48O25
Molecular Weight 964.80 g/mol
Canonical SMILES COC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)OC6C(C(C(C(O6)COC(=O)C=CC7=CC(=C(C=C7)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy