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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009135

[3-(4-hydroxy-3,5-dimethoxyphenyl)-7-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium

Formula: C26H27O12+  |  Mol. Weight: 531.50 g/mol

IUPAC: [3-(4-hydroxy-3,5-dimethoxyphenyl)-7-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium

Overview

Molecular Formula C26H27O12+
Molecular Weight 531.50 g/mol
Canonical SMILES CC1=CC2=C3C(=CC(=[OH+])C=C3OC(=C2OC4C(C(C(C(O4)CO)O)O)O)C5=CC(=C(C(=C5)OC)O)OC)O1

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy