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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038490

3,4,5-trihydroxy-2-[[(11S,13R,16S)-4,5,13,21,22-pentahydroxy-14-(hydroxymethyl)-9,18-dioxo-12-(3,4,5-trihydroxybenzoyl)oxy-2,10,15,17-tetraoxatetracyclo[17.3.1.03,8.011,16]tricosa-1(23),3,5,7,19,21-hexaen-6-yl]oxy]benzoic acid

Formula: C34H26O23  |  Mol. Weight: 802.60 g/mol

IUPAC: 3,4,5-trihydroxy-2-[[(11S,13R,16S)-4,5,13,21,22-pentahydroxy-14-(hydroxymethyl)-9,18-dioxo-12-(3,4,5-trihydroxybenzoyl)oxy-2,10,15,17-tetraoxatetracyclo[17.3.1.03,8.011,16]tricosa-1(23),3,5,7,19,21-hexaen-6-yl]oxy]benzoic acid

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Overview

Molecular Formula C34H26O23
Molecular Weight 802.60 g/mol
Canonical SMILES C1=C2C=C(C(=C1O)O)OC3=C(C(=C(C=C3C(=O)OC4C(C(C(OC4OC2=O)CO)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC6=C(C(=C(C=C6C(=O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy