7-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
PubChem CID: 73088337
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 7-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 266.0 |
| Hydrogen Bond Donor Count | 10.0 |
| Inchi Key | QIIWNLYXERJKDH-UHFFFAOYSA-N |
| Rotatable Bond Count | 7.0 |
| Synonyms | 7-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Kaempferol 7-sophoroside |
| Heavy Atom Count | 43.0 |
| Compound Name | 7-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
| Description | Constituent of saffron (Crocus sativus). Kaempferol 7-sophoroside is found in saffron and herbs and spices. |
| Exact Mass | 610.153 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 610.153 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1000.0 |
| Hydrogen Bond Acceptor Count | 16.0 |
| Molecular Weight | 610.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C27H30O16/c28-7-14-17(32)20(35)23(38)26(41-14)43-25-21(36)18(33)15(8-29)42-27(25)39-11-5-12(31)16-13(6-11)40-24(22(37)19(16)34)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-21,23,25-33,35-38H,7-8H2 |
| Smiles | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)O |
| Xlogp | -0.9 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C27H30O16 |
- 1. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:fooddb_chem_all