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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006468

(2R,3R,4S,5S,6R)-2-[(E)-4-[(1S,4R,5R,6S,7S,9S,11S,12S,15S,17S,20R)-17-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-9-methoxy-4,6,11,16,16-pentamethyl-8-oxahexacyclo[10.9.0.01,20.04,11.05,9.015,20]henicosan-7-yl]-2-methylbut-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C55H90O23  |  Mol. Weight: 1119.30 g/mol

IUPAC: (2R,3R,4S,5S,6R)-2-[(E)-4-[(1S,4R,5R,6S,7S,9S,11S,12S,15S,17S,20R)-17-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-9-methoxy-4,6,11,16,16-pentamethyl-8-oxahexacyclo[10.9.0.01,20.04,11.05,9.015,20]henicosan-7-yl]-2-methylbut-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C55H90O23
Molecular Weight 1119.30 g/mol
Canonical SMILES CC1C(OC2(C1C3(CCC45CC46CCC(C(C6CCC5C3(C2)C)(C)C)C7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)OC)CC=C(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