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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012706

[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[4-(3-oxobutyl)phenoxy]-5-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

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

IUPAC: [(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[4-(3-oxobutyl)phenoxy]-5-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methyl 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)C3=CC(=C(C(=C3)O)O)O)O)O)OC(=O)C=CC4=CC=CC=C4

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy