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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002363

1-[(1S,4R,5R,6S,7S,9S,11S,12S,15R,17S,20R)-17-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-methoxy-4,6,11,16,16-pentamethyl-8-oxahexacyclo[10.9.0.01,20.04,11.05,9.015,20]henicosan-7-yl]-3,4-dihydroxy-3-methylbutan-2-one

Formula: C43H70O16  |  Mol. Weight: 843.00 g/mol

IUPAC: 1-[(1S,4R,5R,6S,7S,9S,11S,12S,15R,17S,20R)-17-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-methoxy-4,6,11,16,16-pentamethyl-8-oxahexacyclo[10.9.0.01,20.04,11.05,9.015,20]henicosan-7-yl]-3,4-dihydroxy-3-methylbutan-2-one

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Overview

Molecular Formula C43H70O16
Molecular Weight 843.00 g/mol
Canonical SMILES CC1C(OC2(C1C3(CCC45CC46CCC(C(C6CCC5C3(C2)C)(C)C)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)OC)CC(=O)C(C)(CO)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy