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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001316

Debenzoylgalloylpaeoniflorin

Formula: C23H28O14  |  Mol. Weight: 528.50 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1R,2S,3R,5R,6R,8S)-6-hydroxy-2-(hydroxymethyl)-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C23H28O14
Molecular Weight 528.50 g/mol
Canonical SMILES CC12CC3(C4CC1(C4(C(O2)O3)CO)OC5C(C(C(C(O5)COC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy