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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017411

[(2R,3S,4S,5R,6R)-6-[[(1S,4R,5S,17R,19S,20R)-5-(2,5-dimethoxyphenyl)-7,8,20-trihydroxy-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: C35H40O19  |  Mol. Weight: 764.70 g/mol

IUPAC: [(2R,3S,4S,5R,6R)-6-[[(1S,4R,5S,17R,19S,20R)-5-(2,5-dimethoxyphenyl)-7,8,20-trihydroxy-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 C35H40O19
Molecular Weight 764.70 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=C(C=CC(=C6)OC)OC)O)O)OC)O)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy