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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007344

[(2S,3R)-3-[(1S,2R,4aR,4bR,7S,8aR,10aR)-7-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4b,8,8,10a-tetramethyl-2'-oxospiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,4'-oxolane]-2-yl]-1-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]butan-2-yl] acetate

Formula: C44H68O16  |  Mol. Weight: 853.00 g/mol

IUPAC: [(2S,3R)-3-[(1S,2R,4aR,4bR,7S,8aR,10aR)-7-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4b,8,8,10a-tetramethyl-2'-oxospiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,4'-oxolane]-2-yl]-1-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]butan-2-yl] acetate

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Overview

Molecular Formula C44H68O16
Molecular Weight 853.00 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CCC4(C5CCC(C6(C5(CCC4C3(C)C)C)CC(=O)OC6)C(C)C(CC7C=C(C(=O)O7)C)OC(=O)C)C)CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy