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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016997

[(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-2-methoxyphenoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 3,4-dimethoxybenzoate

Formula: C38H44O18  |  Mol. Weight: 788.70 g/mol

IUPAC: [(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-2-methoxyphenoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 3,4-dimethoxybenzoate

Overview

Molecular Formula C38H44O18
Molecular Weight 788.70 g/mol
Canonical SMILES COC1=C(C=C(C=C1)C(=O)OCC2(COC(C2O)OCC3C(C(C(C(O3)OC4=C(C=C(C=C4)COC(=O)C=CC5=CC(=C(C=C5)O)OC)OC)O)O)O)O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy