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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003669

16-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 1-O-[(3R,4S,5S,6R)-2,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] (2E,4E,6E,8E,10E,12E,14E)-hexadeca-2,4,6,8,10,12,14-heptaenedioate

Formula: C40H56O24  |  Mol. Weight: 920.90 g/mol

IUPAC: 16-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 1-O-[(3R,4S,5S,6R)-2,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] (2E,4E,6E,8E,10E,12E,14E)-hexadeca-2,4,6,8,10,12,14-heptaenedioate

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Overview

Molecular Formula C40H56O24
Molecular Weight 920.90 g/mol
Canonical SMILES C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)OC(=O)C=CC=CC=CC=CC=CC=CC=CC(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy