Kaempferol-3-O-arabinoside
PubChem CID: 14749097
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| Compound Synonyms | Kaempferol 3-O-arabinoside, Kaempferol-3-O-arabinoside, KAEMPFEROL 3-O-A-L-ARABINOPYRANOSIDE, kaempferol-3-O-pentoside, SCHEMBL23699001, 4H-1-Benzopyran-4-one,3-(a-L-arabinopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one |
|---|---|
| Topological Polar Surface Area | 166.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 672.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | 0.8 |
| Is Pains | False |
| Molecular Formula | C20H18O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RNVUDWOQYYWXBJ-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Rotatable Bond Count | 3.0 |
| Compound Name | Kaempferol-3-O-arabinoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 418.09 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 418.09 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 418.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.756461466666667 |
| Inchi | InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)18-19(30-20-17(27)15(25)12(24)7-28-20)16(26)14-11(23)5-10(22)6-13(14)29-18/h1-6,12,15,17,20-25,27H,7H2 |
| Smiles | C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rosa Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Sedum Sarmentosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all