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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006215

(2S,3R,4S,5S,6R)-2-[(3S,6R)-3-hydroxy-6-[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-7,7,12,16-tetramethyl-6,9-bis[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy]-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylheptan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C46H78O18  |  Mol. Weight: 919.10 g/mol

IUPAC: (2S,3R,4S,5S,6R)-2-[(3S,6R)-3-hydroxy-6-[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-7,7,12,16-tetramethyl-6,9-bis[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy]-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylheptan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C46H78O18
Molecular Weight 919.10 g/mol
Canonical SMILES CC(CCC(C(C)(C)OC1C(C(C(C(O1)CO)O)O)O)O)C2C(CC3(C2(CCC45C3CC(C6C4(C5)CCC(C6(C)C)OC7C(C(C(CO7)O)O)O)OC8C(C(C(CO8)O)O)O)C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy