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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP022481

(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4S,4aS,6aR,6bS,8aS,11S,12aS,14aR,14bS)-11-carboxy-4,6a,6b,8a,11,14b-hexamethyl-2,3,4,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula: C41H62O15  |  Mol. Weight: 794.90 g/mol

IUPAC: (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4S,4aS,6aR,6bS,8aS,11S,12aS,14aR,14bS)-11-carboxy-4,6a,6b,8a,11,14b-hexamethyl-2,3,4,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

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Overview

Molecular Formula C41H62O15
Molecular Weight 794.90 g/mol
Canonical SMILES CC1C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)CC=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy