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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037687

Tamarixinin B

Formula: C82H56O52  |  Mol. Weight: 1873.30 g/mol

IUPAC: [(11R,12S,13R,31R,33S,49R,50S,51R,69R,71S)-4,5,6,18,19,20,23,24,25,38,42,43,44,56,57,58,61,62,63,76,77,79-docosahydroxy-9,15,28,35,47,53,66,73-octaoxo-50-(3,4,5-trihydroxybenzoyl)oxy-2,10,14,29,32,34,40,48,52,67,70,72-dodecaoxatridecacyclo[72.2.2.236,39.03,8.011,33.013,31.016,21.022,27.041,46.049,71.051,69.054,59.060,65]octaconta-1(76),3,5,7,16,18,20,22,24,26,36,38,41,43,45,54,56,58,60,62,64,74,77,79-tetracosaen-12-yl] 3,4,5-trihydroxybenzoate

Overview

Molecular Formula C82H56O52
Molecular Weight 1873.30 g/mol
Canonical SMILES C1C2C(C(C3C(O2)OC(=O)C4=CC(=C(C(=C4)O)OC5=C(C(=C(C=C5C(=O)OC6C(C7C(COC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O7)O)O)O)O)O)O)OC6OC(=O)C2=CC(=C(C(=C2)O)OC2=C(C(=C(C=C2C(=O)O3)O)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy