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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP022454

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

Formula: C40H43NO20  |  Mol. Weight: 857.80 g/mol

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

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Overview

Molecular Formula C40H43NO20
Molecular Weight 857.80 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C=CC(=O)N2C(CC3=CC(=C(C=C32)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)OC(=O)C=CC6=CC(=C(C=C6)O)O)O)O)O)O)C(=O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy