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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038190

(1S,2S,4S,9S,12S,13R,16S,18R,19R)-4,18,19-trihydroxy-16-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxy-7,9,13-trimethyl-5-[(2R)-2-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]pentacyclo[10.8.0.02,9.04,8.013,18]icos-7-en-6-one

Formula: C51H82O24  |  Mol. Weight: 1079.20 g/mol

IUPAC: (1S,2S,4S,9S,12S,13R,16S,18R,19R)-4,18,19-trihydroxy-16-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxy-7,9,13-trimethyl-5-[(2R)-2-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]pentacyclo[10.8.0.02,9.04,8.013,18]icos-7-en-6-one

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Overview

Molecular Formula C51H82O24
Molecular Weight 1079.20 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(OC(C(C2O)OC3C(C(C(C(O3)C)O)O)O)OC4CCC5(C6CCC7(C(C6CC(C5(C4)O)O)CC8(C7=C(C(=O)C8CC(C)COC9C(C(C(C(O9)CO)O)O)O)C)O)C)C)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy