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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP033152

(27R,29S,30R,31R,32S)-3,4,15,16,19,20,21,29,30,31,36,37,38-tridecahydroxy-6,13,25,28,33-pentaoxaoctacyclo[33.3.1.02,11.05,10.08,17.09,14.018,23.027,32]nonatriaconta-1(39),2,4,8,10,14,16,18,20,22,35,37-dodecaene-7,12,24,34-tetrone

Formula: C34H22O22  |  Mol. Weight: 782.50 g/mol

IUPAC: (27R,29S,30R,31R,32S)-3,4,15,16,19,20,21,29,30,31,36,37,38-tridecahydroxy-6,13,25,28,33-pentaoxaoctacyclo[33.3.1.02,11.05,10.08,17.09,14.018,23.027,32]nonatriaconta-1(39),2,4,8,10,14,16,18,20,22,35,37-dodecaene-7,12,24,34-tetrone

Overview

Molecular Formula C34H22O22
Molecular Weight 782.50 g/mol
Canonical SMILES C1C2C(C(C(C(O2)O)O)O)OC(=O)C3=C(C(=C(C(=C3)C4=C(C(=C5C6=C4C(=O)OC7=C(C(=C(C8=C(C(=C(C=C8C(=O)O1)O)O)O)C(=C67)C(=O)O5)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy