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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038531

[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl] (1S,3R,6S,7S,12S,14R,15R,16R)-14-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-7,12,16-trimethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylate

Formula: C47H76O16  |  Mol. Weight: 897.10 g/mol

IUPAC: [(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl] (1S,3R,6S,7S,12S,14R,15R,16R)-14-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-7,12,16-trimethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylate

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Overview

Molecular Formula C47H76O16
Molecular Weight 897.10 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2CCC34CC35CCC6(C(C(CC6(C5CCC4C2(C)C(=O)OC7C(C(C(C(O7)C)O)O)O)C)OC8C(C(C(O8)CO)O)O)C(C)CCC=C(C)C)C)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy