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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP033811

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

Formula: C22H26O10  |  Mol. Weight: 450.40 g/mol

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

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Overview

Molecular Formula C22H26O10
Molecular Weight 450.40 g/mol
Canonical SMILES C1=CC=C(C=C1)C(=O)OCC2=CC(C3C2C(OC=C3)OC4C(C(C(C(O4)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy