???kuaisusuoyin???- 1.Compound Report
- 2.Properties
- 3.Structure and Representation
- 4.External Links
- 5.Substance of the Compound
- 6.Linked
- 7.ADMET
Compound Report
| Compound ID | 2471 |  |
| CAS Number | ||
| Generic Name | Polygalaxanthone VI | |
| Is Public | false | |
| Synonyms | Polygalaxanthone VI | |
| Ceate Date | ||
| Comments | ||
| Refs | ||
| Catalogues |
Properties
| Molecular Weight | Abs Weight | Rotatable Bonds | HB Acceptors | HB Donors | LogP | TPSA | Formal Charge |
| 494.4 | 494.44534 | 7 | 12 | 4 | 0.1593 | 163.0 | 0.0 |
Structure and Representation
| Molecular Formula | C23H26O12 |
| Iupac Name | 1,2,3,7-tetramethoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one |
| SMILES | COC1=C(C=C2C(=C1)C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| Standard InChI | InChI=1S/C23H26O12/c1-29-11-5-9-10(6-12(11)34-23-20(28)19(27)18(26)15(8-24)35-23)33-13-7-14(30-2)21(31-3)22(32-4)16(13)17(9)25/h5-7,15,18-20,23-24,26-28H,8H2,1-4H3/t15-,18-,19+,20-,23-/m1/s1 |
| Standard InChI Key | SBPPUWCOLBWYPO-BSTKLLGTSA-N |
| Metling_Point | |
| Character | |
| Optical_Rotation | |
| Mol Files | Download mol File Download mol2 File |
| 2D Structure Viewer | Click Here to View 2D Structure |
| 3D Structure Viewer | Click Here to View 3D Structure |
External Links
| External Links | chemmapper |
Substance Information
| substance | 1 |
Linked
| ???xiangguanfangji??? | |
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| ???xiangguanzhiwu??? | |
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| ???xiangguanbabiao??? | |
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ADMET
