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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP010697

Nagilactoside C

Formula: C31H44O16  |  Mol. Weight: 672.70 g/mol

IUPAC: (1S,8R,9S,12S,14R,16R)-14-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-8-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione

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Overview

Molecular Formula C31H44O16
Molecular Weight 672.70 g/mol
Canonical SMILES CC(C)C1=C2C(C3C4C(C2=CC(=O)O1)(CC(CC4(C(=O)O3)C)OC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy