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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009384

Torvoside E

Formula: C40H66O14  |  Mol. Weight: 770.90 g/mol

IUPAC: (1R,2S,4S,6R,7S,8R,9S,12S,13R,18S,19S)-6-methoxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-19-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-one

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Overview

Molecular Formula C40H66O14
Molecular Weight 770.90 g/mol
Canonical SMILES CC1C2C(CC3C2(CCC4C3CC(C5C4(CCC(=O)C5)C)OC6C(C(C(C(O6)C)O)O)O)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