Compound BIMP004274

[(1S,2R,20R,22S,31S,32S,39R)-7,8,9,12,13,14,27,28,33,33-decahydroxy-4,17,24,34,37-pentaoxo-3,18,21,23,38,40-hexaoxaoctacyclo[20.16.1.129,32.02,20.05,10.011,16.025,30.031,36]tetraconta-5,7,9,11,13,15,25,27,29,35-decaen-39-yl] 3,4,5-trihydroxybenzoate

Formula: C₄₁H₂₈O₂₆ | Mol. Weight: 936.60 g/mol

IUPAC: [(1S,2R,20R,22S,31S,32S,39R)-7,8,9,12,13,14,27,28,33,33-decahydroxy-4,17,24,34,37-pentaoxo-3,18,21,23,38,40-hexaoxaoctacyclo[20.16.1.129,32.02,20.05,10.011,16.025,30.031,36]tetraconta-5,7,9,11,13,15,25,27,29,35-decaen-39-yl] 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C₄₁H₂₈O₂₆

Molecular Weight 936.60 g/mol

Canonical SMILES

C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C5=C4C6C(O5)C(C(=O)C=C6C(=O)O3)(O)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O

Bioactivity of Indian Medicinal Plants

[(1S,2R,20R,22S,31S,32S,39R)-7,8,9,12,13,14,27,28,33,33-decahydroxy-4,17,24,34,37-pentaoxo-3,18,21,23,38,40-hexaoxaoctacyclo[20.16.1.129,32.02,20.05,10.011,16.025,30.031,36]tetraconta-5,7,9,11,13,15,25,27,29,35-decaen-39-yl] 3,4,5-trihydroxybenzoate

Overview

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

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