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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002539

[(2R,3S,4S,5R,6R)-6-[[(1S,4S,5R,17R,19S,20R)-8,20-dihydroxy-5-(4-hydroxy-3-methoxyphenyl)-19-(hydroxymethyl)-9-methoxy-3,14-dioxo-2,15,18-trioxatetracyclo[15.2.1.04,13.06,11]icosa-6,8,10,12-tetraen-19-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate

Formula: C34H38O18  |  Mol. Weight: 734.70 g/mol

IUPAC: [(2R,3S,4S,5R,6R)-6-[[(1S,4S,5R,17R,19S,20R)-8,20-dihydroxy-5-(4-hydroxy-3-methoxyphenyl)-19-(hydroxymethyl)-9-methoxy-3,14-dioxo-2,15,18-trioxatetracyclo[15.2.1.04,13.06,11]icosa-6,8,10,12-tetraen-19-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate

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Overview

Molecular Formula C34H38O18
Molecular Weight 734.70 g/mol
Canonical SMILES CC(=O)OCC1C(C(C(C(O1)OC2(C3C(C(O2)COC(=O)C4=CC5=CC(=C(C=C5C(C4C(=O)O3)C6=CC(=C(C=C6)O)OC)O)OC)O)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy