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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017050

[4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S)-3,4-dihydroxy-4-[(4-hydroxybenzoyl)oxymethyl]oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-methoxyphenyl]methyl 3,4-dimethoxybenzoate

Formula: C35H40O17  |  Mol. Weight: 732.70 g/mol

IUPAC: [4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S)-3,4-dihydroxy-4-[(4-hydroxybenzoyl)oxymethyl]oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-methoxyphenyl]methyl 3,4-dimethoxybenzoate

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Overview

Molecular Formula C35H40O17
Molecular Weight 732.70 g/mol
Canonical SMILES COC1=C(C=C(C=C1)C(=O)OCC2=CC(=C(C=C2)OC3C(C(C(C(O3)COC4C(C(CO4)(COC(=O)C5=CC=C(C=C5)O)O)O)O)O)O)OC)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy