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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003291

(2R,3R,4S,5S,6R)-2-[[(1S,2S,3R)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C27H36O12  |  Mol. Weight: 552.60 g/mol

IUPAC: (2R,3R,4S,5S,6R)-2-[[(1S,2S,3R)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C27H36O12
Molecular Weight 552.60 g/mol
Canonical SMILES COC1=C(C(=C2C(C(C(CC2=C1)CO)COC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)OC)OC)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy