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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005004

(1R,4R,6R,7R,10S,14S,16S,18R,19S)-10,14,18-trihydroxy-6-methyl-7-(5-oxo-2H-furan-3-yl)-16-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-oxapentacyclo[9.7.1.01,14.04,19.06,10]nonadecan-2-one

Formula: C29H40O12  |  Mol. Weight: 580.60 g/mol

IUPAC: (1R,4R,6R,7R,10S,14S,16S,18R,19S)-10,14,18-trihydroxy-6-methyl-7-(5-oxo-2H-furan-3-yl)-16-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-oxapentacyclo[9.7.1.01,14.04,19.06,10]nonadecan-2-one

Overview

Molecular Formula C29H40O12
Molecular Weight 580.60 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2CC(C34C5C(CCC3(C2)O)C6(CCC(C6(CC5OC4=O)C)C7=CC(=O)OC7)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy