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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003744

2-[[(4R,5S,7R,25S,26R)-29-(carboxymethyl)-13,14,15,18,19,31,35,36-octahydroxy-2,10,23,28,32-pentaoxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,24,27,33-hexaoxaheptacyclo[28.7.1.04,25.07,26.011,16.017,22.034,38]octatriaconta-1(37),11,13,15,17,19,21,34(38),35-nonaen-20-yl]oxy]-3,4,5-trihydroxybenzoic acid

Formula: C48H34O32  |  Mol. Weight: 1122.80 g/mol

IUPAC: 2-[[(4R,5S,7R,25S,26R)-29-(carboxymethyl)-13,14,15,18,19,31,35,36-octahydroxy-2,10,23,28,32-pentaoxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,24,27,33-hexaoxaheptacyclo[28.7.1.04,25.07,26.011,16.017,22.034,38]octatriaconta-1(37),11,13,15,17,19,21,34(38),35-nonaen-20-yl]oxy]-3,4,5-trihydroxybenzoic acid

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Overview

Molecular Formula C48H34O32
Molecular Weight 1122.80 g/mol
Canonical SMILES C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C(C(C(=O)O3)CC(=O)O)C(C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)OC9=C(C(=C(C=C9C(=O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy