BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009428

[(2R,3R,4S,5S,6R)-2-[[(3S,4aR,6aR,6aR,6bR,8aR,11S,12S,12aS,14aR,14bR)-11-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] hydrogen sulfate

Formula: C36H62O11S  |  Mol. Weight: 702.90 g/mol

IUPAC: [(2R,3R,4S,5S,6R)-2-[[(3S,4aR,6aR,6aR,6bR,8aR,11S,12S,12aS,14aR,14bR)-11-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] hydrogen sulfate

3D View Find Similar

Overview

Molecular Formula C36H62O11S
Molecular Weight 702.90 g/mol
Canonical SMILES CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1(C)O)CO)C)C)(C)C)OC6C(C(C(C(O6)CO)O)O)OS(=O)(=O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy