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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019216

(2R,3R,4R,5S,6S)-2-[[(2R,3S,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R)-5',7,9,13-tetramethyl-5'-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxolane]-16-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol

Formula: C57H92O28  |  Mol. Weight: 1225.30 g/mol

IUPAC: (2R,3R,4R,5S,6S)-2-[[(2R,3S,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R)-5',7,9,13-tetramethyl-5'-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxolane]-16-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol

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Overview

Molecular Formula C57H92O28
Molecular Weight 1225.30 g/mol
Canonical SMILES CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)COC7C(C(C(C(O7)C)O)O)O)O)O)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)O)O)O)C)C)OC11CCC(O1)(C)COC1C(C(C(C(O1)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy