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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037901

2-[(14S)-7-[[(21S,22R,23R)-7,8,11,12,13,22,23-heptahydroxy-3,16-dioxo-6-(3,4,5-trihydroxybenzoyl)oxy-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-21-yl]oxycarbonyl]-5,14,18,19-tetrahydroxy-2,11,15-trioxo-3,10,16-trioxatetracyclo[11.7.1.04,9.017,21]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl]acetic acid

Formula: C48H34O31  |  Mol. Weight: 1106.80 g/mol

IUPAC: 2-[(14S)-7-[[(21S,22R,23R)-7,8,11,12,13,22,23-heptahydroxy-3,16-dioxo-6-(3,4,5-trihydroxybenzoyl)oxy-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-21-yl]oxycarbonyl]-5,14,18,19-tetrahydroxy-2,11,15-trioxo-3,10,16-trioxatetracyclo[11.7.1.04,9.017,21]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl]acetic acid

3D View Find Similar

Overview

Molecular Formula C48H34O31
Molecular Weight 1106.80 g/mol
Canonical SMILES C1C2C(C(C(C(O2)OC(=O)C3=CC(=C4C(=C3)OC(=O)C(C5C(C(=O)OC6=C5C(=CC(=C6O)O)C(=O)O4)O)CC(=O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)OC(=O)C9=CC(=C(C(=C9)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy