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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007764

[(1S,8R,9R,19R,21S,22R,23R)-7,7,8,12,13-pentahydroxy-3,6,16-trioxo-21,22-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,20,24-tetraoxapentacyclo[17.3.1.18,11.04,9.010,15]tetracosa-4,10,12,14-tetraen-23-yl] 3,4,5-trihydroxybenzoate

Formula: C41H30O27  |  Mol. Weight: 954.70 g/mol

IUPAC: [(1S,8R,9R,19R,21S,22R,23R)-7,7,8,12,13-pentahydroxy-3,6,16-trioxo-21,22-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,20,24-tetraoxapentacyclo[17.3.1.18,11.04,9.010,15]tetracosa-4,10,12,14-tetraen-23-yl] 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C41H30O27
Molecular Weight 954.70 g/mol
Canonical SMILES C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=O)C(C6(C5C7=C(O6)C(=C(C=C7C(=O)O1)O)O)O)(O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy