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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031487

(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol

Formula: C32H44O15  |  Mol. Weight: 668.70 g/mol

IUPAC: (2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol

Overview

Molecular Formula C32H44O15
Molecular Weight 668.70 g/mol
Canonical SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(OC4=C3C=C(C=C4OC)CCCO)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy