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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009159

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

Formula: C48H54O19  |  Mol. Weight: 934.90 g/mol

IUPAC: [(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[4-[[(3R,4R,5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenoxy]-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 C48H54O19
Molecular Weight 934.90 g/mol
Canonical SMILES COC1=CC(=CC(=C1OC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)OC)OC(=O)C=CC4=CC(=C(C=C4)O)OC)O)O)OC)CC5COC(C5CO)C6=CC(=C(C(=C6)OC)O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy