BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037678

Sanguiin H 6

Formula: C82H54O52  |  Mol. Weight: 1871.30 g/mol

IUPAC: 2-(6-carboxy-2,3,4-trihydroxyphenyl)-6-[5-[[(27E)-17-[[6,7,8,11,12,13,22-heptahydroxy-21-(hydroxymethyl)-3,16-dioxo-2,17,20-trioxatetracyclo[16.3.1.04,9.010,15]docosa-4,6,8,10,12,14-hexaen-19-yl]oxycarbonyl]-7,8,9,12,19,36,37,38,41,42,43-undecahydroxy-4,25,33,46-tetraoxo-3,14,21,26,29,32,47-heptaoxaoctacyclo[29.16.0.05,10.011,24.013,22.015,20.034,39.040,45]heptatetraconta-5,7,9,11,13(22),15,17,19,23,27,34,36,38,40,42,44-hexadecaen-30-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoic acid

Overview

Molecular Formula C82H54O52
Molecular Weight 1871.30 g/mol
Canonical SMILES C1C2C(C(OC=COC(=O)C3=CC4=C(C(=C3C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)OC6=CC(=CC(=C6O4)O)C(=O)OC7C8C(C(C(O7)CO)OC(=O)C9=CC(=C(C(=C9C1=C(C(=C(C=C1C(=O)O8)O)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)OC1=C(C(=C(C(=C1C(=O)O)C1=C(C(=C(C=C1C(=O)O)O)O)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1C1=C(C(=C(C=C1C(=O)O2)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy