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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP015811

4-[(2S,5R,6S)-6-[(2R,5S,6R)-5-(4-hydroxy-3,5-dimethoxyphenyl)-2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-1,4-dioxepan-6-yl]-2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-1,4-dioxepan-5-yl]-2,6-dimethoxyphenol

Formula: C42H50O16  |  Mol. Weight: 810.80 g/mol

IUPAC: 4-[(2S,5R,6S)-6-[(2R,5S,6R)-5-(4-hydroxy-3,5-dimethoxyphenyl)-2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-1,4-dioxepan-6-yl]-2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-1,4-dioxepan-5-yl]-2,6-dimethoxyphenol

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Overview

Molecular Formula C42H50O16
Molecular Weight 810.80 g/mol
Canonical SMILES COC1=CC(=CC(=C1O)OC)C2C(COC(CO2)C(C3=CC(=C(C=C3)O)OC)O)C4COC(COC4C5=CC(=C(C(=C5)OC)O)OC)C(C6=CC(=C(C=C6)O)OC)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy