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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP027146

6-[6-carboxy-4,5-dihydroxy-2-[[4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-14-oxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula: C48H72O22  |  Mol. Weight: 1001.10 g/mol

IUPAC: 6-[6-carboxy-4,5-dihydroxy-2-[[4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-14-oxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

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Overview

Molecular Formula C48H72O22
Molecular Weight 1001.10 g/mol
Canonical SMILES CC12CCC(CC1C3=CC(=O)C4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)C)(C)C(=O)OC8C(C(C(C(O8)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy