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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039172

3-[2-[(1S,4aR,5S,8aS)-5-[[(2R,3S,4R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one

Formula: C32H50O13  |  Mol. Weight: 642.70 g/mol

IUPAC: 3-[2-[(1S,4aR,5S,8aS)-5-[[(2R,3S,4R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one

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Overview

Molecular Formula C32H50O13
Molecular Weight 642.70 g/mol
Canonical SMILES CC1(CCCC2(C1CCC(=C)C2CCC3=CC(=O)OC3)C)COC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy