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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018185

Atropuroside B

Formula: C38H60O14  |  Mol. Weight: 740.90 g/mol

IUPAC: (1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,14S,15S,16R)-14-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-8,15,16-triol

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Overview

Molecular Formula C38H60O14
Molecular Weight 740.90 g/mol
Canonical SMILES CC1CCC2(C(C3(C(O2)CC4C3(CCC5C4CC=C6C5(C(C(C(C6)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)O)C)OC1

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy