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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018191

Atropuroside E

Formula: C33H50O11  |  Mol. Weight: 622.70 g/mol

IUPAC: (1S,2S,3'S,4S,6S,7S,8R,9S,12S,13R,14S,15S,16R)-7,9,13-trimethyl-5'-methylidene-14-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-3',15,16-triol

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Overview

Molecular Formula C33H50O11
Molecular Weight 622.70 g/mol
Canonical SMILES CC1C2C(CC3C2(CCC4C3CC=C5C4(C(C(C(C5)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)OC17C(CC(=C)CO7)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy