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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP029958

Obacunone 17-O-beta-D-glucoside

Formula: C32H42O13  |  Mol. Weight: 634.70 g/mol

IUPAC: 9-[furan-3-yl-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5,5,7a,9,11b-pentamethyl-3,7-dioxospiro[6,10,11,11a-tetrahydro-5aH-benzo[g][2]benzoxepine-8,3'-oxirane]-2'-carboxylic acid

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Overview

Molecular Formula C32H42O13
Molecular Weight 634.70 g/mol
Canonical SMILES CC1(C2CC(=O)C3(C(C2(C=CC(=O)O1)C)CCC(C34C(O4)C(=O)O)(C)C(C5=COC=C5)OC6C(C(C(C(O6)CO)O)O)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy