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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002322

(2S,3S,9S,17S)-3-[(2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol

Formula: C56H42O11  |  Mol. Weight: 890.90 g/mol

IUPAC: (2S,3S,9S,17S)-3-[(2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol

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Overview

Molecular Formula C56H42O11
Molecular Weight 890.90 g/mol
Canonical SMILES C1=CC(=C2C(C(OC2=C1)C3=CC=C(C=C3)O)C4=CC(=CC(=C4)O)O)C5C(C6C(C7=C(C=C(C=C7O)O)C8C(OC9=C8C6=C5C(=C9)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy