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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP024494

Balagyptin

Formula: C39H64O16  |  Mol. Weight: 788.90 g/mol

IUPAC: 2-[[3,4-dihydroxy-6-[[16-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol

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Overview

Molecular Formula C39H64O16
Molecular Weight 788.90 g/mol
Canonical SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3CCC4(C5CCC6(C(C5CC=C4C3)CC(C6C(C)O)O)C)C)OC7C(C(C(C(O7)C)O)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy