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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP032448

[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 9-(hydroxymethyl)-6a,6b,9,12a-tetramethyl-2-methylidene-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Formula: C41H64O14  |  Mol. Weight: 780.90 g/mol

IUPAC: [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 9-(hydroxymethyl)-6a,6b,9,12a-tetramethyl-2-methylidene-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

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Overview

Molecular Formula C41H64O14
Molecular Weight 780.90 g/mol
Canonical SMILES CC12CCC(C(C1CCC3(C2CC=C4C3(CCC5(C4CC(=C)CC5)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C)C)(C)CO)OC7C(C(C(C(O7)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy