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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002286

(2S,3S,4S,5R,6S)-6-[(1R,2R,5S,6R,9R,10R,11S,14R,15R,19S,21R)-10,21-bis(hydroxymethyl)-2,5,6,10,14-pentamethyl-22-oxo-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-11-yl]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid

Formula: C48H74O19  |  Mol. Weight: 955.10 g/mol

IUPAC: (2S,3S,4S,5R,6S)-6-[(1R,2R,5S,6R,9R,10R,11S,14R,15R,19S,21R)-10,21-bis(hydroxymethyl)-2,5,6,10,14-pentamethyl-22-oxo-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-11-yl]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid

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Overview

Molecular Formula C48H74O19
Molecular Weight 955.10 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3C4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC9(CC8OC9=O)CO)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy