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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009688

2-[(4S,5R,7S,8S,20S)-16,17,20-trihydroxy-7-(hydroxymethyl)-2,10,13-trioxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,14-tetraoxatetracyclo[10.6.1.14,8.015,19]icosa-1(18),15(19),16-trien-11-yl]acetic acid

Formula: C26H22O18  |  Mol. Weight: 622.40 g/mol

IUPAC: 2-[(4S,5R,7S,8S,20S)-16,17,20-trihydroxy-7-(hydroxymethyl)-2,10,13-trioxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,14-tetraoxatetracyclo[10.6.1.14,8.015,19]icosa-1(18),15(19),16-trien-11-yl]acetic acid

Overview

Molecular Formula C26H22O18
Molecular Weight 622.40 g/mol
Canonical SMILES C1=C(C=C(C(=C1O)O)O)C(=O)OC2C3C(C(C(O2)CO)OC(=O)C(C4C5=C(C(=C(C=C5C(=O)O3)O)O)OC4=O)CC(=O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy