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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004491

[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,2S,4aR,5R,8aR)-1,4a-dimethyl-6-methylidene-5-[(E)-3-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-3-enyl]-1,2,3,4,5,7,8,8a-octahydronaphthalene-2-carboxylate

Formula: C32H52O13  |  Mol. Weight: 644.70 g/mol

IUPAC: [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,2S,4aR,5R,8aR)-1,4a-dimethyl-6-methylidene-5-[(E)-3-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-3-enyl]-1,2,3,4,5,7,8,8a-octahydronaphthalene-2-carboxylate

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Overview

Molecular Formula C32H52O13
Molecular Weight 644.70 g/mol
Canonical SMILES CC1C(CCC2(C1CCC(=C)C2CCC(=CCOC3C(C(C(C(O3)CO)O)O)O)C)C)C(=O)OC4C(C(C(C(O4)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy