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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP022435

(2S)-5-hydroxy-1-[(E)-3-[4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]-6-[(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]oxy-2,3-dihydroindole-2-carboxylic acid

Formula: C36H45NO21  |  Mol. Weight: 827.70 g/mol

IUPAC: (2S)-5-hydroxy-1-[(E)-3-[4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]-6-[(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]oxy-2,3-dihydroindole-2-carboxylic acid

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Overview

Molecular Formula C36H45NO21
Molecular Weight 827.70 g/mol
Canonical SMILES C1C(N(C2=CC(=C(C=C21)O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O)C(=O)C=CC5=CC=C(C=C5)OC6C(C(C(C(O6)CO)O)O)O)C(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy