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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009158

[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[4-[[(3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenoxy]-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Formula: C46H50O17  |  Mol. Weight: 874.90 g/mol

IUPAC: [(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[4-[[(3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenoxy]-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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Overview

Molecular Formula C46H50O17
Molecular Weight 874.90 g/mol
Canonical SMILES COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)OC4C(C(C(C(O4)COC(=O)C=CC5=CC(=C(C=C5)O)OC)OC(=O)C=CC6=CC(=C(C=C6)O)OC)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy