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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006971

[(1S,4aR,5R,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-5-yl] 4-hydroxybenzoate

Formula: C22H26O11  |  Mol. Weight: 466.40 g/mol

IUPAC: [(1S,4aR,5R,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-5-yl] 4-hydroxybenzoate

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Overview

Molecular Formula C22H26O11
Molecular Weight 466.40 g/mol
Canonical SMILES C1=COC(C2C1C(C=C2CO)OC(=O)C3=CC=C(C=C3)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