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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003811

4-O-Galloylalbiflorin

Formula: C30H32O15  |  Mol. Weight: 632.60 g/mol

IUPAC: [(1R,3R,4R,6S,9S)-9-(benzoyloxymethyl)-6-methyl-8-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-4-yl] 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C30H32O15
Molecular Weight 632.60 g/mol
Canonical SMILES CC12CC(C3CC1(C3(C(=O)O2)COC(=O)C4=CC=CC=C4)OC5C(C(C(C(O5)CO)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy