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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000601

methyl (1S,4aR,7aR)-1-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4a-hydroxy-7-(hydroxymethyl)-5,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate

Formula: C23H34O16  |  Mol. Weight: 566.50 g/mol

IUPAC: methyl (1S,4aR,7aR)-1-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4a-hydroxy-7-(hydroxymethyl)-5,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate

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Overview

Molecular Formula C23H34O16
Molecular Weight 566.50 g/mol
Canonical SMILES COC(=O)C1=COC(C2C1(CC=C2CO)O)OC3C(C(C(C(O3)CO)O)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