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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011003

[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,1aR,4S,4aS,7R,7aS,7bS)-4-hydroxy-1,7-dimethyl-4-[[(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]azulene-1-carboxylate

Formula: C27H44O14  |  Mol. Weight: 592.60 g/mol

IUPAC: [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,1aR,4S,4aS,7R,7aS,7bS)-4-hydroxy-1,7-dimethyl-4-[[(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]azulene-1-carboxylate

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Overview

Molecular Formula C27H44O14
Molecular Weight 592.60 g/mol
Canonical SMILES CC1CCC2C1C3C(C3(C)C(=O)OC4C(C(C(C(O4)CO)O)O)O)CCC2(COC5C(C(C(C(O5)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy