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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP024469

Alatanin B

Formula: C61H71O34+  |  Mol. Weight: 1348.20 g/mol

IUPAC: [3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[5-hydroxy-2-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

Overview

Molecular Formula C61H71O34+
Molecular Weight 1348.20 g/mol
Canonical SMILES COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OC4=CC5=C(C=C(C=C5[O+]=C4C6=CC(=C(C=C6)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)COC(=O)C=CC9=CC(=C(C(=C9)OC)O)OC)O)O)O)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy