Aristoloside
8-methoxy-6-nitro-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Also Known As: Aristoloside|Aristolochin|1,1-Dimethyltetradecyl hydrosulfide|aristolochic acid IVa-O-beta-D-glucoside|8-methoxy-6-nitro-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid|10-(|A-d-glucopyranosyloxy)-8-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid|10-(Hexopyranosyloxy)-8-methoxy-6-nitro-2H-phenanthro[3,4-d][1,3]dioxole-5-carboxylato|10-(beta-D-Glucopyranosyloxy)-8-methoxy-6-nitro-2H-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid|10-(beta-D-Glucopyranosyloxy)-8-methoxy-6-nitrophenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid|8-methoxy-6-nitro-10-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxynaphtho(2,1-g)(1,3)benzodioxole-5-carboxylic acid|8-methoxy-6-nitro-10-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid|Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 10-(beta-D-glucopyranosyloxy)-8-methoxy-6-nitro-
| Molecular Formula | C23H21NO13 |
|---|---|
| Molecular Weight | 519.1013 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 210.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 519.1013 |
| Monoisotopic Mass | 519.1013 |
| Heavy Atoms | 37 |
| Complexity | 855.0 |
Chemical Identifiers
| CAS Number | 89840-85-7 |
|---|---|
| SMILES | COC1=CC(=CC2=C3C(=C(C=C12)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
| InChIKey | GMKHAVDYTAXBIY-BSTKLLGTSA-N |
Product Overview
Aristoloside (CAS 89840-85-7), with molecular formula C23H21NO13 and molecular weight 519.1013 g/mol. IUPAC: 8-methoxy-6-nitro-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid.