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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013881

(2S,3R,4S,5R,6R)-2-[[(1S,1aR,4R,4aS,7R,7aS,7bS)-1,4,7-trimethyl-1-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl]oxy]-6-methyloxane-3,4,5-triol

Formula: C27H46O11  |  Mol. Weight: 546.60 g/mol

IUPAC: (2S,3R,4S,5R,6R)-2-[[(1S,1aR,4R,4aS,7R,7aS,7bS)-1,4,7-trimethyl-1-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl]oxy]-6-methyloxane-3,4,5-triol

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Overview

Molecular Formula C27H46O11
Molecular Weight 546.60 g/mol
Canonical SMILES CC1CCC2C1C3C(C3(C)COC4C(C(C(C(O4)CO)O)O)O)CCC2(C)OC5C(C(C(C(O5)C)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy