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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008377

3-[6-[[(10R,11S,12R,13R,15R)-3,4,5,21,22,23-hexahydroxy-13-methoxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl]oxycarbonyl]-2,3,4-trihydroxyphenoxy]-4,5-dihydroxybenzoic acid

Formula: C42H32O27  |  Mol. Weight: 968.70 g/mol

IUPAC: 3-[6-[[(10R,11S,12R,13R,15R)-3,4,5,21,22,23-hexahydroxy-13-methoxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl]oxycarbonyl]-2,3,4-trihydroxyphenoxy]-4,5-dihydroxybenzoic acid

Overview

Molecular Formula C42H32O27
Molecular Weight 968.70 g/mol
Canonical SMILES COC1C(C(C2C(O1)COC(=O)C3=CC(=C(C(=C3C4=C(C(=C(C=C4C(=O)O2)O)O)O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6OC7=CC(=CC(=C7O)O)C(=O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy