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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001696

(1R,4R,5R,11R,12R,19R)-4-(3,5-dihydroxyphenyl)-5,11,19-tris(4-hydroxyphenyl)-8,16-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-oxapentacyclo[10.7.0.02,10.03,7.013,18]nonadeca-2(10),3(7),8,13,15,17-hexaene-9,15,17-triol

Formula: C54H52O19  |  Mol. Weight: 1005.00 g/mol

IUPAC: (1R,4R,5R,11R,12R,19R)-4-(3,5-dihydroxyphenyl)-5,11,19-tris(4-hydroxyphenyl)-8,16-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-oxapentacyclo[10.7.0.02,10.03,7.013,18]nonadeca-2(10),3(7),8,13,15,17-hexaene-9,15,17-triol

Overview

Molecular Formula C54H52O19
Molecular Weight 1005.00 g/mol
Canonical SMILES C1=CC(=CC=C1C2C3C(C(C4=C(C(=C(C=C34)O)C5C(C(C(C(O5)CO)O)O)O)O)C6=CC=C(C=C6)O)C7=C2C(=C(C8=C7C(C(O8)C9=CC=C(C=C9)O)C1=CC(=CC(=C1)O)O)C1C(C(C(C(O1)CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy