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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012435

[(2R,3R,4S,5R,6R)-3,5-diacetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4-[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Formula: C39H46O20  |  Mol. Weight: 834.80 g/mol

IUPAC: [(2R,3R,4S,5R,6R)-3,5-diacetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4-[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

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Overview

Molecular Formula C39H46O20
Molecular Weight 834.80 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C)OCCC3=CC(=C(C=C3)O)O)COC(=O)C=CC4=CC(=C(C=C4)O)O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy