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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039003

(1R,3S,5S,6R,7S,8R,10R,12S,13R,14R)-7-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-6,13,14-trihydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.03,8]tetradecane-5-carboxylic acid

Formula: C18H26O16  |  Mol. Weight: 498.40 g/mol

IUPAC: (1R,3S,5S,6R,7S,8R,10R,12S,13R,14R)-7-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-6,13,14-trihydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.03,8]tetradecane-5-carboxylic acid

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Overview

Molecular Formula C18H26O16
Molecular Weight 498.40 g/mol
Canonical SMILES CC1C(C(C2C(O1)OC3C(C(C(OC3O2)C(=O)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy