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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004032

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate

Formula: C23H30O12  |  Mol. Weight: 498.50 g/mol

IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate

Overview

Molecular Formula C23H30O12
Molecular Weight 498.50 g/mol
Canonical SMILES CC(C)(C1CCC(=CC1)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy