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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000251

Pseudolaric acid B-O-beta-D-glucopyranoside

Formula: C29H38O13  |  Mol. Weight: 594.60 g/mol

IUPAC: methyl (1R,7S,8S,9R)-7-acetyloxy-9-methyl-9-[(1E,3E)-4-methyl-5-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypenta-1,3-dienyl]-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-ene-4-carboxylate

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Overview

Molecular Formula C29H38O13
Molecular Weight 594.60 g/mol
Canonical SMILES CC(=CC=CC1(C2CCC3(C2(CCC(=CC3)C(=O)OC)OC(=O)C)C(=O)O1)C)C(=O)OC4C(C(C(C(O4)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy