2-[(3S)-3-hydroxy-2-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]acetic acid
PubChem CID: 162860940
Connections displayed (default: 10).
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| Topological Polar Surface Area | 186.0 |
|---|---|
| Hydrogen Bond Donor Count | 7.0 |
| Inchi Key | VNIXZLMYLWKZLU-LGKWPGNQSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | Zeanoside A |
| Heavy Atom Count | 27.0 |
| Compound Name | 2-[(3S)-3-hydroxy-2-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]acetic acid |
| Description | Isolated from sweet corn kernels Zea mays (Gramineae). Zeanoside A is found in cereals and cereal products, fats and oils, and corn. |
| Exact Mass | 385.101 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 385.101 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 588.0 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 385.32 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | 2-[(3S)-3-hydroxy-2-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]acetic acid |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C16H19NO10/c18-5-8-11(21)12(22)13(23)14(27-8)26-7-3-1-2-6-10(7)17-15(24)16(6,25)4-9(19)20/h1-3,8,11-14,18,21-23,25H,4-5H2,(H,17,24)(H,19,20)/t8-,11-,12+,13-,14-,16+/m1/s1 |
| Smiles | C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)NC(=O)[C@@]2(CC(=O)O)O |
| Xlogp | -2.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C16H19NO10 |
- 1. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all