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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031413

[(10R,11R,12R,13S,15R)-13-[2-[3-(3,4-dihydroxyphenyl)propanoyl]-3,5-dihydroxyphenoxy]-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate

Formula: C42H34O23  |  Mol. Weight: 906.70 g/mol

IUPAC: [(10R,11R,12R,13S,15R)-13-[2-[3-(3,4-dihydroxyphenyl)propanoyl]-3,5-dihydroxyphenoxy]-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate

Overview

Molecular Formula C42H34O23
Molecular Weight 906.70 g/mol
Canonical SMILES C1C2C(C(C(C(O2)OC3=CC(=CC(=C3C(=O)CCC4=CC(=C(C=C4)O)O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy