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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006595

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

Formula: C45H64O19  |  Mol. Weight: 909.00 g/mol

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

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Overview

Molecular Formula C45H64O19
Molecular Weight 909.00 g/mol
Canonical SMILES CC(=O)OC1CC(CC2C1(CCC3(C2=CC(=O)C4C3(CCC5C4(CCC(C5(C)C)C6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)C)C)C)C)(C(=O)O)C(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy