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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003589

methyl (1S,2S,4S,5R,6S,7S)-4'-[(1S)-1-hydroxyethyl]-5'-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[3,8-dioxatricyclo[4.4.0.02,4]dec-9-ene-5,2'-furan]-10-carboxylate

Formula: C21H26O13  |  Mol. Weight: 486.40 g/mol

IUPAC: methyl (1S,2S,4S,5R,6S,7S)-4'-[(1S)-1-hydroxyethyl]-5'-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[3,8-dioxatricyclo[4.4.0.02,4]dec-9-ene-5,2'-furan]-10-carboxylate

Overview

Molecular Formula C21H26O13
Molecular Weight 486.40 g/mol
Canonical SMILES CC(C1=CC2(C3C(C4C2O4)C(=COC3OC5C(C(C(C(O5)CO)O)O)O)C(=O)OC)OC1=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy