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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP033631

[(1S,2R)-1-[(10S,11S)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-2-hydroxy-3-oxopropyl] 3,4,5-trihydroxybenzoate

Formula: C27H22O18  |  Mol. Weight: 634.50 g/mol

IUPAC: [(1S,2R)-1-[(10S,11S)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-2-hydroxy-3-oxopropyl] 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C27H22O18
Molecular Weight 634.50 g/mol
Canonical SMILES C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C(C(C=O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy