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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP033517

[(1R,2R,3S,4R,6R)-4-[(2R)-2-(3,4-dihydroxyphenyl)-2-methoxyethoxy]-3-hydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]oxycyclohexyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Formula: C30H38O16  |  Mol. Weight: 654.60 g/mol

IUPAC: [(1R,2R,3S,4R,6R)-4-[(2R)-2-(3,4-dihydroxyphenyl)-2-methoxyethoxy]-3-hydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]oxycyclohexyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

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Overview

Molecular Formula C30H38O16
Molecular Weight 654.60 g/mol
Canonical SMILES COC(COC1CC(C(C(C1O)OC2C(C(C(C(O2)O)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)C4=CC(=C(C=C4)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy