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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038354

[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S,4R)-4-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-chromen-8-yl]-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

Formula: C86H78O43  |  Mol. Weight: 1799.50 g/mol

IUPAC: [(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S,4R)-4-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-chromen-8-yl]-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C86H78O43
Molecular Weight 1799.50 g/mol
Canonical SMILES C1C(C(OC2=C(C(=CC(=C21)OC3C(C(C(C(O3)CO)O)O)O)O)C4C(C(OC5=C(C(=CC(=C45)O)O)C6C(C(OC7=C(C(=CC(=C67)O)O)C8C(C(OC9=CC(=CC(=C89)O)OC1C(C(C(C(O1)CO)O)O)O)C1=CC(=C(C=C1)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)C1=CC(=C(C(=C1)O)O)O)O)C1=CC(=C(C=C1)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)C1=CC(=C(C=C1)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy