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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002247

[10-(2,3,4,7,8,9,19-Heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13,25,32-tetraoxaheptacyclo[25.8.0.02,7.015,20.021,30.024,29.028,33]pentatriaconta-1(35),2,4,6,15,17,19,21,23,26,28,30,33-tridecaen-11-yl] 3,4,5-trihydroxybenzoate

Formula: C55H34O28  |  Mol. Weight: 1142.80 g/mol

IUPAC: [10-(2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13,25,32-tetraoxaheptacyclo[25.8.0.02,7.015,20.021,30.024,29.028,33]pentatriaconta-1(35),2,4,6,15,17,19,21,23,26,28,30,33-tridecaen-11-yl] 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C55H34O28
Molecular Weight 1142.80 g/mol
Canonical SMILES C1C(C(OC(=O)C2=CC(=C(C(=C2C3=CC=C4C5=C6C(=CC=C(C6=CO4)C7=C(C(=C(C=C7C(=O)O1)O)O)O)OC=C35)O)O)O)C8C9C(C1=C(C(=C(C(=C1C(=O)O9)C1=C(C(=C(C=C1C(=O)O8)O)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy