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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039360

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,4aS,4bR,6aS,7R,8R,9R,10aR,10bS,12R)-8,9,12-trihydroxy-7-(hydroxymethyl)-4a,4b,7,10a-tetramethyl-2-[(3S)-3-methyl-4-oxopentyl]-4,5,6,6a,8,9,10,10b,11,12-decahydro-3H-chrysene-2-carboxylate

Formula: C36H58O12  |  Mol. Weight: 682.80 g/mol

IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,4aS,4bR,6aS,7R,8R,9R,10aR,10bS,12R)-8,9,12-trihydroxy-7-(hydroxymethyl)-4a,4b,7,10a-tetramethyl-2-[(3S)-3-methyl-4-oxopentyl]-4,5,6,6a,8,9,10,10b,11,12-decahydro-3H-chrysene-2-carboxylate

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Overview

Molecular Formula C36H58O12
Molecular Weight 682.80 g/mol
Canonical SMILES CC(CCC1(CCC2(C(=C1)C(CC3C2(CCC4C3(CC(C(C4(C)CO)O)O)C)C)O)C)C(=O)OC5C(C(C(C(O5)CO)O)O)O)C(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy