noidesol B
PubChem CID: 46210740
Connections displayed (default: 10).
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| Compound Synonyms | Noidesol B, CHEMBL1095585 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 207.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Inchi Key | WZJUIALLVYPJHP-LFLISMIQSA-N |
| Fcsp3 | 0.4090909090909091 |
| Rotatable Bond Count | 4.0 |
| Heavy Atom Count | 34.0 |
| Compound Name | noidesol B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 480.127 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 480.127 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 722.0 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 480.4 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (2R,3R)-3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 0.0 |
| Esol | -2.4062928705882354 |
| Inchi | InChI=1S/C22H24O12/c1-32-10-3-2-7(4-8(10)24)21-19(30)17(28)14-11(33-21)5-9(25)13(16(14)27)22-20(31)18(29)15(26)12(6-23)34-22/h2-5,12,15,18-27,29-31H,6H2,1H3/t12-,15-,18+,19+,20-,21-,22+/m1/s1 |
| Smiles | COC1=C(C=C(C=C1)[C@@H]2[C@H](C(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O |
| Xlogp | -0.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C22H24O12 |
- 1. Outgoing r'ship
FOUND_INto/from Gnetum Gnemonoides (Plant) Rel Props:Source_db:cmaup_ingredients