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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP014435

Phyllaemblicin D

Formula: C21H34O13  |  Mol. Weight: 494.50 g/mol

IUPAC: (2S,3R,3aS,4'S,5'R,6S,7aR)-3,4'-dihydroxy-3-(hydroxymethyl)-5'-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[3a,4,5,6,7,7a-hexahydro-1-benzofuran-2,2'-oxane]-6-carboxylic acid

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Overview

Molecular Formula C21H34O13
Molecular Weight 494.50 g/mol
Canonical SMILES C1CC2C(CC1C(=O)O)OC3(C2(CO)O)CC(C(CO3)COC4C(C(C(C(O4)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy