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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP022434

(2S)-6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2,3-dihydroindole-2-carboxylic acid

Formula: C40H43NO19  |  Mol. Weight: 841.80 g/mol

IUPAC: (2S)-6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2,3-dihydroindole-2-carboxylic acid

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Overview

Molecular Formula C40H43NO19
Molecular Weight 841.80 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OCC3C(C(C(C(O3)OC4=C(C=C5CC(N(C5=C4)C(=O)C=CC6=CC=C(C=C6)O)C(=O)O)O)O)O)O)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy