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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002158

[3-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-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: C29H25O12+  |  Mol. Weight: 565.50 g/mol

IUPAC: [3-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-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 C29H25O12+
Molecular Weight 565.50 g/mol
Canonical SMILES C1=CC(=CC=C1C2=CC3=C4C(=CC(=[OH+])C=C4OC(=C3OC5C(C(C(C(O5)CO)O)O)O)C6=CC(=C(C=C6)O)O)O2)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy