BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038029

(1S,2S,4R,6S,8S,9R,10R,13R,14R)-16-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-8-hydroxy-6-[(E)-3-hydroxy-2-methylprop-1-enyl]-2,8,10,13,18,18-hexamethyl-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-15,19-diene-12,17-dione

Formula: C42H62O15  |  Mol. Weight: 806.90 g/mol

IUPAC: (1S,2S,4R,6S,8S,9R,10R,13R,14R)-16-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-8-hydroxy-6-[(E)-3-hydroxy-2-methylprop-1-enyl]-2,8,10,13,18,18-hexamethyl-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-15,19-diene-12,17-dione

3D View Find Similar

Overview

Molecular Formula C42H62O15
Molecular Weight 806.90 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC4C(=CCC5C4(C(=O)CC6(C5(CC7C6C(CC(O7)C=C(C)CO)(C)O)C)C)C)C(C3=O)(C)C)CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy