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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP022455

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

Formula: C46H53NO24  |  Mol. Weight: 1003.90 g/mol

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

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Overview

Molecular Formula C46H53NO24
Molecular Weight 1003.90 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(OC(C2O)OC3=C(C=C4CC(N(C4=C3)C(=O)C=CC5=CC=C(C=C5)OC6C(C(C(C(O6)CO)O)O)O)C(=O)O)O)COC7C(C(C(C(O7)CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy