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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005419

(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-[(2R,3R,4S,5S,6S)-6-carboxy-4-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-2-hydroxy-4,6a,6b,14b-tetramethyl-11-methylidene-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid

Formula: C41H58O18  |  Mol. Weight: 838.90 g/mol

IUPAC: (2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-[(2R,3R,4S,5S,6S)-6-carboxy-4-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-2-hydroxy-4,6a,6b,14b-tetramethyl-11-methylidene-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid

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Overview

Molecular Formula C41H58O18
Molecular Weight 838.90 g/mol
Canonical SMILES CC12CCC3C(C1CC=C4C2(CCC5(C4CC(=C)CC5)C(=O)O)C)(CC(C(C3(C)C(=O)O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy