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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009846

(2S,3R,4S,5S,6R)-6-((Cinnamoyloxy)methyl)-4,5-dihydroxy-2-(4-(3-oxobutyl)phenoxy)tetrahydro-2H-pyran-3-yl 3,4,5-trihydroxybenzoate

Formula: C32H32O12  |  Mol. Weight: 608.60 g/mol

IUPAC: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[4-(3-oxobutyl)phenoxy]-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-3-yl] 3,4,5-trihydroxybenzoate

Overview

Molecular Formula C32H32O12
Molecular Weight 608.60 g/mol
Canonical SMILES CC(=O)CCC1=CC=C(C=C1)OC2C(C(C(C(O2)COC(=O)C=CC3=CC=CC=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy