Compound BIMP017994

(1R,3S,4R,13R,14R,21R,22S)-9,10,11,27,28,29,32,33,34-nonahydroxy-6,16,19,24,37-pentaoxo-3-(3,4,5-trihydroxybenzoyl)oxy-2,5,15,20,23,38-hexaoxaheptacyclo[19.18.0.04,22.07,12.013,18.025,30.031,36]nonatriaconta-7,9,11,17,25,27,29,31,33,35-decaene-14-carboxylic acid

Formula: C₄₁H₂₈O₂₇ | Mol. Weight: 952.60 g/mol

IUPAC: (1R,3S,4R,13R,14R,21R,22S)-9,10,11,27,28,29,32,33,34-nonahydroxy-6,16,19,24,37-pentaoxo-3-(3,4,5-trihydroxybenzoyl)oxy-2,5,15,20,23,38-hexaoxaheptacyclo[19.18.0.04,22.07,12.013,18.025,30.031,36]nonatriaconta-7,9,11,17,25,27,29,31,33,35-decaene-14-carboxylic acid

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Overview

Molecular Formula C₄₁H₂₈O₂₇

Molecular Weight 952.60 g/mol

Canonical SMILES

C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6C(OC(=O)C=C6C(=O)O3)C(=O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O

Bioactivity of Indian Medicinal Plants

(1R,3S,4R,13R,14R,21R,22S)-9,10,11,27,28,29,32,33,34-nonahydroxy-6,16,19,24,37-pentaoxo-3-(3,4,5-trihydroxybenzoyl)oxy-2,5,15,20,23,38-hexaoxaheptacyclo[19.18.0.04,22.07,12.013,18.025,30.031,36]nonatriaconta-7,9,11,17,25,27,29,31,33,35-decaene-14-carboxylic acid

Overview

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

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