BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002114

[(1S)-1-[(1S,2R)-2-[(1R)-2-[(1R,4aR,6S,8aR)-4a-hydroxy-6-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5R,6R)-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-8a-methyl-2-oxo-5,6,7,8-tetrahydro-1H-naphthalen-1-yl]-1-benzoyloxyethyl]-1-hydroxy-2-methyl-3-oxocyclopentyl]ethyl] benzoate

Formula: C55H74O18  |  Mol. Weight: 1023.20 g/mol

IUPAC: [(1S)-1-[(1S,2R)-2-[(1R)-2-[(1R,4aR,6S,8aR)-4a-hydroxy-6-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5R,6R)-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-8a-methyl-2-oxo-5,6,7,8-tetrahydro-1H-naphthalen-1-yl]-1-benzoyloxyethyl]-1-hydroxy-2-methyl-3-oxocyclopentyl]ethyl] benzoate

3D View Find Similar

Overview

Molecular Formula C55H74O18
Molecular Weight 1023.20 g/mol
Canonical SMILES CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3O)OC4CCC5(C(C(=O)C=CC5(C4)O)CC(C6(C(=O)CCC6(C(C)OC(=O)C7=CC=CC=C7)O)C)OC(=O)C8=CC=CC=C8)C)C)C)OC)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy