BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031653

(3,6a,11',12',13',16',17',18',29',30',34',35'-dodecahydroxy-2',5,8',21',26',39'-hexaoxospiro[3,3a-dihydro-2H-furo[3,2-b]furan-6,37'-3,7,22,25,36,40,42-heptaoxanonacyclo[33.2.2.14,24.15,23.131,34.01,33.09,14.015,20.027,32]dotetraconta-9,11,13,15,17,19,27,29,31-nonaene]-41'-yl) 3,4,5-trihydroxybenzoate

Formula: C47H34O32  |  Mol. Weight: 1110.80 g/mol

IUPAC: (3,6a,11',12',13',16',17',18',29',30',34',35'-dodecahydroxy-2',5,8',21',26',39'-hexaoxospiro[3,3a-dihydro-2H-furo[3,2-b]furan-6,37'-3,7,22,25,36,40,42-heptaoxanonacyclo[33.2.2.14,24.15,23.131,34.01,33.09,14.015,20.027,32]dotetraconta-9,11,13,15,17,19,27,29,31-nonaene]-41'-yl) 3,4,5-trihydroxybenzoate

3D View Find Similar

Overview

Molecular Formula C47H34O32
Molecular Weight 1110.80 g/mol
Canonical SMILES C1C(C2C(O1)(C3(C(=O)O2)C45CC(=O)C(O3)(C6(C4C7=C(O6)C(=C(C=C7C(=O)OC8C(C(C9COC(=O)C1=CC(=C(C(=C1C1=C(C(=C(C=C1C(=O)OC8O9)O)O)O)O)O)O)OC5=O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy