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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007870

(1R,2R,3R,4R,6R,7R,8S,9R,12R,13R,16S,18R)-16-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,2,7,13,17,17-hexamethyl-6-(3-methylbut-2-enyl)-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-3,4,7-triol

Formula: C48H80O19  |  Mol. Weight: 961.10 g/mol

IUPAC: (1R,2R,3R,4R,6R,7R,8S,9R,12R,13R,16S,18R)-16-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,2,7,13,17,17-hexamethyl-6-(3-methylbut-2-enyl)-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-3,4,7-triol

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Overview

Molecular Formula C48H80O19
Molecular Weight 961.10 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CCC4(C5CCC6C7C(C(OC7(C(C6(C5(CCC4C3(C)C)C)C)O)O)CC=C(C)C)(C)O)C)CO)O)OC8C(C(C(C(O8)CO)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy