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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003878

[(2R)-3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate

Formula: C33H34O14  |  Mol. Weight: 654.60 g/mol

IUPAC: [(2R)-3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate

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Overview

Molecular Formula C33H34O14
Molecular Weight 654.60 g/mol
Canonical SMILES CC(C)(C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)OC(=O)C4(CC(C(C(C4)OC(=O)C=CC5=CC(=C(C=C5)O)OC)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy