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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016704

(1S,4R,5S,17R,19S,20R)-8,20-dihydroxy-19-(hydroxymethyl)-5-(4-hydroxyphenyl)-7,9-dimethoxy-19-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,15,18-trioxatetracyclo[15.2.1.04,13.06,11]icosa-6,8,10,12-tetraene-3,14-dione

Formula: C32H36O17  |  Mol. Weight: 692.60 g/mol

IUPAC: (1S,4R,5S,17R,19S,20R)-8,20-dihydroxy-19-(hydroxymethyl)-5-(4-hydroxyphenyl)-7,9-dimethoxy-19-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,15,18-trioxatetracyclo[15.2.1.04,13.06,11]icosa-6,8,10,12-tetraene-3,14-dione

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Overview

Molecular Formula C32H36O17
Molecular Weight 692.60 g/mol
Canonical SMILES COC1=C(C(=C2C(C3C(=CC2=C1)C(=O)OCC4C(C(C(O4)(CO)OC5C(C(C(C(O5)CO)O)O)O)OC3=O)O)C6=CC=C(C=C6)O)OC)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy