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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008610

[(2R,3S,4R,5R,6R)-6-[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Formula: C29H36O16  |  Mol. Weight: 640.60 g/mol

IUPAC: [(2R,3S,4R,5R,6R)-6-[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

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Overview

Molecular Formula C29H36O16
Molecular Weight 640.60 g/mol
Canonical SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(C3=CC(=C(C=C3)O)O)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy