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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008710

methyl (1S,4aS,5S,7aS)-5-hydroxy-7-[3-(4-hydroxy-3-methoxyphenyl)propanoyloxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

Formula: C27H34O14  |  Mol. Weight: 582.50 g/mol

IUPAC: methyl (1S,4aS,5S,7aS)-5-hydroxy-7-[3-(4-hydroxy-3-methoxyphenyl)propanoyloxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

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Overview

Molecular Formula C27H34O14
Molecular Weight 582.50 g/mol
Canonical SMILES COC1=C(C=CC(=C1)CCC(=O)OCC2=CC(C3C2C(OC=C3C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy