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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001537

(2R,3R,4R,5R,6S)-2-[[(2R,3R,4S,5R,6R)-3-hydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]oxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol

Formula: C38H64O18  |  Mol. Weight: 808.90 g/mol

IUPAC: (2R,3R,4R,5R,6S)-2-[[(2R,3R,4S,5R,6R)-3-hydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]oxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol

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Overview

Molecular Formula C38H64O18
Molecular Weight 808.90 g/mol
Canonical SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC=C(C)CCC=C(C)CCC=C(C)C)OC3C(C(C(C(O3)C)O)O)O)OC4C(C(C(CO4)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy