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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031730

methyl (1S,4aS,5S,6R,7S,7aS)-7-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-5,6-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

Formula: C26H32O15  |  Mol. Weight: 584.50 g/mol

IUPAC: methyl (1S,4aS,5S,6R,7S,7aS)-7-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-5,6-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

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Overview

Molecular Formula C26H32O15
Molecular Weight 584.50 g/mol
Canonical SMILES COC(=O)C1=COC(C2C1C(C(C2COC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy