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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019127

Koelzioside

Formula: C41H46O17  |  Mol. Weight: 810.80 g/mol

IUPAC: [5-acetyloxy-2-[[(1S,2S,4S,6R,10S)-2-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyl-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-4-yl] (E)-3-phenylprop-2-enoate

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Overview

Molecular Formula C41H46O17
Molecular Weight 810.80 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)OC(=O)C=CC6=CC=CC=C6)OC(=O)C=CC7=CC=CC=C7)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy