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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018192

Atropuroside G

Formula: C39H62O15  |  Mol. Weight: 770.90 g/mol

IUPAC: (2R,3R,4S,5S,6R)-2-[4-[(1S,2S,4S,7S,8R,9S,12S,13R,14S,15S,16R)-15,16-dihydroxy-6-methoxy-7,9,13-trimethyl-14-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylidenebutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C39H62O15
Molecular Weight 770.90 g/mol
Canonical SMILES CC1C2C(CC3C2(CCC4C3CC=C5C4(C(C(C(C5)O)O)OC6C(C(C(CO6)O)O)O)C)C)OC1(CCC(=C)COC7C(C(C(C(O7)CO)O)O)O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy