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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007715

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

Formula: C42H60O17  |  Mol. Weight: 836.90 g/mol

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

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Overview

Molecular Formula C42H60O17
Molecular Weight 836.90 g/mol
Canonical SMILES CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC8(CC7OC8=O)CO)C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy