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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004493

2-[(10R,11S,12R,15R)-3,4,5,13,22,23-hexahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-12-[3,4,5-trihydroxy-2-(7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl)benzoyl]oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(19),2,4,6,20,22-hexaen-21-yl]-3,4,5-trihydroxybenzoic acid

Formula: C55H34O33  |  Mol. Weight: 1222.80 g/mol

IUPAC: 2-[(10R,11S,12R,15R)-3,4,5,13,22,23-hexahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-12-[3,4,5-trihydroxy-2-(7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl)benzoyl]oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(19),2,4,6,20,22-hexaen-21-yl]-3,4,5-trihydroxybenzoic acid

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Overview

Molecular Formula C55H34O33
Molecular Weight 1222.80 g/mol
Canonical SMILES C1C2C(C(C(C(O2)O)OC(=O)C3=CC(=C(C(=C3C4=C(C5=C6C(=C4)C(=O)OC7=C6C(=CC(=C7O)O)C(=O)O5)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O)OC(=O)C9=CC(=C(C(=C9C2=C(C=C(C(=C2O)O)C2=C(C(=C(C=C2C(=O)O)O)O)O)C(=O)O1)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy