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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025598

bis[[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl] (1S,2R,3S,4S)-3,4-bis(4-hydroxyphenyl)cyclobutane-1,2-dicarboxylate

Formula: C72H72O34  |  Mol. Weight: 1481.30 g/mol

IUPAC: bis[[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl] (1S,2R,3S,4S)-3,4-bis(4-hydroxyphenyl)cyclobutane-1,2-dicarboxylate

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Overview

Molecular Formula C72H72O34
Molecular Weight 1481.30 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)OC5C(C(C(C(O5)COC(=O)C6C(C(C6C(=O)OCC7C(C(C(C(O7)OC8C(C(C(OC8OC9=C(OC1=CC(=CC(=C1C9=O)O)O)C1=CC=C(C=C1)O)C)O)O)O)O)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy