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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025774

Orbicuside B

Formula: C30H38O10  |  Mol. Weight: 558.60 g/mol

IUPAC: 5-[(1S,3S,4S,5S,6S,7S,8R,11R,12R,14S,16S,18R,20S,22S,24S,25S)-5,6,11-trihydroxy-3,7,22-trimethyl-13,19,21,26,27-pentaoxaoctacyclo[22.2.1.01,18.03,16.04,12.07,11.012,14.020,25]heptacosan-8-yl]pyran-2-one

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Overview

Molecular Formula C30H38O10
Molecular Weight 558.60 g/mol
Canonical SMILES CC1CC2C3C(O1)OC4CC5CC6C7(O6)C(C5(CC4(O2)O3)C)C(C(C8(C7(CCC8C9=COC(=O)C=C9)O)C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy