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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037896

(1R,2R,20R,43R,44S,49R,50S)-7,8,9,12,13,14,25,26,27,30,31,32,35,44,47-pentadecahydroxy-43-(3,4,5-trihydroxyphenyl)-3,18,21,38,42,51,54-heptaoxadodecacyclo[27.21.3.334,50.02,20.05,10.011,16.023,28.033,53.037,49.039,48.041,46.037,56]hexapentaconta-5,7,9,11,13,15,23,25,27,29(53),30,32,34,39(48),40,46-hexadecaene-4,17,22,36,52,55-hexone

Formula: C55H36O31  |  Mol. Weight: 1192.90 g/mol

IUPAC: (1R,2R,20R,43R,44S,49R,50S)-7,8,9,12,13,14,25,26,27,30,31,32,35,44,47-pentadecahydroxy-43-(3,4,5-trihydroxyphenyl)-3,18,21,38,42,51,54-heptaoxadodecacyclo[27.21.3.334,50.02,20.05,10.011,16.023,28.033,53.037,49.039,48.041,46.037,56]hexapentaconta-5,7,9,11,13,15,23,25,27,29(53),30,32,34,39(48),40,46-hexadecaene-4,17,22,36,52,55-hexone

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Overview

Molecular Formula C55H36O31
Molecular Weight 1192.90 g/mol
Canonical SMILES C1C(C(OC2=CC3=C(C4C5C6C7C(COC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O7)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C7=C(C(=C(C(=C7O)O)O)C7=C(C(=O)C4(C7C(=O)O5)O3)O)C(=O)O6)O)O)O)C(=C21)O)C1=CC(=C(C(=C1)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy