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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038543

[2-[5,7-dihydroxy-4-oxo-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]-4,5-dihydroxy-3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]phenyl] 3,4,5-trihydroxybenzoate

Formula: C34H34O21  |  Mol. Weight: 778.60 g/mol

IUPAC: [2-[5,7-dihydroxy-4-oxo-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]-4,5-dihydroxy-3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]phenyl] 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C34H34O21
Molecular Weight 778.60 g/mol
Canonical SMILES CC1C(C(C(C(O1)C2=C(C(=CC(=C2C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)OC5C(C(C(C(O5)CO)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy