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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018188

Leucasperoside A

Formula: C38H60O17  |  Mol. Weight: 788.90 g/mol

IUPAC: (2S,4aS,4bR,7R,10aR)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-9-one

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Overview

Molecular Formula C38H60O17
Molecular Weight 788.90 g/mol
Canonical SMILES CC1(C(CCC2(C1CC(=O)C3=CC(CCC32)(C)C=C)C)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy