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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039099

(2R,3R,4S,5S,6R)-2-[[(1S,2S,2'S,4S,6S,7S,8R,9S,11R,12S,13R,16S)-11,16-dihydroxy-2',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,5'-oxolane]-2'-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C33H52O10  |  Mol. Weight: 608.80 g/mol

IUPAC: (2R,3R,4S,5S,6R)-2-[[(1S,2S,2'S,4S,6S,7S,8R,9S,11R,12S,13R,16S)-11,16-dihydroxy-2',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,5'-oxolane]-2'-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Overview

Molecular Formula C33H52O10
Molecular Weight 608.80 g/mol
Canonical SMILES CC1C2C(CC3C2(CC(C4C3CC=C5C4(CCC(C5)O)C)O)C)OC16CCC(O6)(C)COC7C(C(C(C(O7)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy