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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025832

6'-(p-Hydroxybenzoyl)mussaenosidic acid

Formula: C23H28O12  |  Mol. Weight: 496.50 g/mol

IUPAC: (1R,4aR,7R,7aR)-7-hydroxy-7-methyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid

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Overview

Molecular Formula C23H28O12
Molecular Weight 496.50 g/mol
Canonical SMILES CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)COC(=O)C4=CC=C(C=C4)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy