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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002924

Asparagoside B

Formula: C33H56O9  |  Mol. Weight: 596.80 g/mol

IUPAC: (2R,3R,4S,5S,6R)-2-[(2S)-4-[(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18R)-6,16-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C33H56O9
Molecular Weight 596.80 g/mol
Canonical SMILES CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)O)C)C)OC1(CCC(C)COC6C(C(C(C(O6)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy