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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039143

(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-[[(1S,2R,5R,6S,9R,10R,11R,14R,15R,19S,21S)-10-(hydroxymethyl)-2,5,6,10,14,21-hexamethyl-16,22-dioxo-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-11-yl]oxy]-5-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methoxycarbonyloxan-2-yl]oxyoxane-2-carboxylic acid

Formula: C43H62O17  |  Mol. Weight: 850.90 g/mol

IUPAC: (2S,3R,4S,5R,6S)-3,4-dihydroxy-6-[[(1S,2R,5R,6S,9R,10R,11R,14R,15R,19S,21S)-10-(hydroxymethyl)-2,5,6,10,14,21-hexamethyl-16,22-dioxo-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-11-yl]oxy]-5-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methoxycarbonyloxan-2-yl]oxyoxane-2-carboxylic acid

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Overview

Molecular Formula C43H62O17
Molecular Weight 850.90 g/mol
Canonical SMILES CC12CCC(C(C1CCC3(C2C(=O)C=C4C3(CCC5(C4CC6(CC5OC6=O)C)C)C)C)(C)CO)OC7C(C(C(C(O7)C(=O)O)O)O)OC8C(C(C(C(O8)C(=O)OC)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy