Luteolin 7,3',4'-trimethyl ether 5-glucoside
PubChem CID: 44258392
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| Compound Synonyms | Luteolin 7,3',4'-trimethyl ether 5-glucoside, 221289-20-9, LMPK12111061 |
|---|---|
| Topological Polar Surface Area | 153.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 760.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | 2-(3,4-dimethoxyphenyl)-7-methoxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 0.9 |
| Molecular Formula | C24H26O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VCKHKFVWKVWGMH-HSQINTTRSA-N |
| Fcsp3 | 0.375 |
| Logs | -3.89 |
| Rotatable Bond Count | 7.0 |
| Logd | 1.923 |
| Compound Name | Luteolin 7,3',4'-trimethyl ether 5-glucoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 490.148 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 490.148 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 490.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.851643914285715 |
| Inchi | InChI=1S/C24H26O11/c1-30-12-7-17-20(18(8-12)34-24-23(29)22(28)21(27)19(10-25)35-24)13(26)9-15(33-17)11-4-5-14(31-2)16(6-11)32-3/h4-9,19,21-25,27-29H,10H2,1-3H3/t19?,21-,22+,23?,24-/m1/s1 |
| Smiles | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3O[C@H]4C([C@H]([C@@H](C(O4)CO)O)O)O)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aquilaria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients