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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP028513

Magnoloside B

Formula: C35H46O20  |  Mol. Weight: 786.70 g/mol

IUPAC: [2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

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Overview

Molecular Formula C35H46O20
Molecular Weight 786.70 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(C(OC2OCCC3=CC(=C(C=C3)O)O)COC4C(C(C(C(O4)CO)O)O)O)O)OC(=O)C=CC5=CC(=C(C=C5)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy