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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038703

3-[(2S,3S,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one

Formula: C29H34O16  |  Mol. Weight: 638.60 g/mol

IUPAC: 3-[(2S,3S,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one

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Overview

Molecular Formula C29H34O16
Molecular Weight 638.60 g/mol
Canonical SMILES COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC(=C(C(=C3)OC)O)OC)OC4C(C(C(CO4)OC5C(C(C(C(O5)CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy