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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013771

(2R,3R,4S,5S,6R)-2-[[(2R,3R,4aR,6R,8aS)-3-hydroxy-8a-methyl-4-methylidene-6-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C27H46O13  |  Mol. Weight: 578.60 g/mol

IUPAC: (2R,3R,4S,5S,6R)-2-[[(2R,3R,4aR,6R,8aS)-3-hydroxy-8a-methyl-4-methylidene-6-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C27H46O13
Molecular Weight 578.60 g/mol
Canonical SMILES CC12CCC(CC1C(=C)C(C(C2)OC3C(C(C(C(O3)CO)O)O)O)O)C(C)(C)OC4C(C(C(C(O4)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy