5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
PubChem CID: 74978547
Connections displayed (default: 10).
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| Topological Polar Surface Area | 264.0 |
|---|---|
| Hydrogen Bond Donor Count | 9.0 |
| Inchi Key | SCMBTGLLYCNHPV-UHFFFAOYSA-N |
| Rotatable Bond Count | 8.0 |
| Synonyms | Limocitrin 3-rutinoside |
| Heavy Atom Count | 46.0 |
| Compound Name | 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one |
| Description | Isolated from citrus fruit peels. Limocitrin 3-rutinoside is found in lemon and citrus. |
| Exact Mass | 654.18 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 654.18 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1090.0 |
| Hydrogen Bond Acceptor Count | 17.0 |
| Molecular Weight | 654.6 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C29H34O17/c1-9-17(33)20(36)22(38)28(43-9)42-8-15-18(34)21(37)23(39)29(44-15)46-27-19(35)16-12(31)7-13(32)25(41-3)26(16)45-24(27)10-4-5-11(30)14(6-10)40-2/h4-7,9,15,17-18,20-23,28-34,36-39H,8H2,1-3H3 |
| Smiles | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=C(C3=O)C(=CC(=C4OC)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O |
| Xlogp | -1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C29H34O17 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Source_db:fooddb_chem_all