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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000912

[(2R,3R)-2-[8-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3a,5,6-trihydroxy-3-oxo-8bH-cyclopenta[b][1]benzofuran-1-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

Formula: C43H32O21  |  Mol. Weight: 884.70 g/mol

IUPAC: [(2R,3R)-2-[8-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3a,5,6-trihydroxy-3-oxo-8bH-cyclopenta[b][1]benzofuran-1-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C43H32O21
Molecular Weight 884.70 g/mol
Canonical SMILES C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)C4(C3C5=C(O4)C(=C(C=C5C6C(CC7=C(C=C(C=C7O6)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O)O)O)O)OC(=O)C9=CC(=C(C(=C9)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy