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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002508

(2S,3R,4S,5S,6R)-2-[2-[(2R,4aR,5S,8aS)-5-hydroxy-4a-(hydroxymethyl)-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C21H36O8  |  Mol. Weight: 416.50 g/mol

IUPAC: (2S,3R,4S,5S,6R)-2-[2-[(2R,4aR,5S,8aS)-5-hydroxy-4a-(hydroxymethyl)-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Overview

Molecular Formula C21H36O8
Molecular Weight 416.50 g/mol
Canonical SMILES CC(C)(C1CCC2(C(CCC(=C)C2C1)O)CO)OC3C(C(C(C(O3)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy