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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018965

(2E)-2-[(4S)-4-hydroxy-3,4-dimethyl-2-[3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-3-[(3E,7E)-4,8,12-trimethyl-11-oxo-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-12-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytrideca-3,7-dienyl]cyclohexylidene]propanal

Formula: C48H80O21  |  Mol. Weight: 993.10 g/mol

IUPAC: (2E)-2-[(4S)-4-hydroxy-3,4-dimethyl-2-[3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-3-[(3E,7E)-4,8,12-trimethyl-11-oxo-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-12-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytrideca-3,7-dienyl]cyclohexylidene]propanal

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Overview

Molecular Formula C48H80O21
Molecular Weight 993.10 g/mol
Canonical SMILES CC(=CCC(C(=CCCC1(C(C(=C(C)C=O)CCC1(C)O)CCCOC2C(C(C(C(O2)CO)O)O)O)C)C)OC3C(C(C(C(O3)CO)O)O)O)CCC(=O)C(C)(C)OC4C(C(C(C(O4)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy