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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038691

(1R,2R,20R,34R,35S,38S,42R,50S,55S,61S,62R)-7,8,9,12,13,14,25,26,27,30,31,32,38,46,48,61-hexadecahydroxy-3,18,21,36,43,54,56-heptaoxatetradecacyclo[27.26.3.242,45.135,38.135,51.02,20.05,10.011,16.023,28.033,58.034,52.044,49.050,55.041,62]dohexaconta-5,7,9,11,13,15,23,25,27,29(58),30,32,40,44,46,48,51-heptadecaene-4,17,22,37,39,53,57,59-octone

Formula: C55H34O31  |  Mol. Weight: 1190.80 g/mol

IUPAC: (1R,2R,20R,34R,35S,38S,42R,50S,55S,61S,62R)-7,8,9,12,13,14,25,26,27,30,31,32,38,46,48,61-hexadecahydroxy-3,18,21,36,43,54,56-heptaoxatetradecacyclo[27.26.3.242,45.135,38.135,51.02,20.05,10.011,16.023,28.033,58.034,52.044,49.050,55.041,62]dohexaconta-5,7,9,11,13,15,23,25,27,29(58),30,32,40,44,46,48,51-heptadecaene-4,17,22,37,39,53,57,59-octone

3D View Find Similar

Overview

Molecular Formula C55H34O31
Molecular Weight 1190.80 g/mol
Canonical SMILES C1C(C2C3=CC(=O)C4(C3C5(C6C7=C(C5=O)C(C(C8C9C(COC(=O)C3=CC(=C(C(=C3C3=C(C(=C(C=C3C(=O)O9)O)O)O)O)O)O)OC(=O)C3=CC(=C(C(=C3C3=C(C6=C(C(=C3O)O)O)C(=O)O8)O)O)O)OC7=O)C3=C(C=C(C1=C3O2)O)O)OC4=O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy