CHEMBL288273
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL288273 | |
| PubChem: | 3002104 | |
| IUPAC: | (46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone | |
| Standard InChI: | InChI=1S/C41H26O26/c42-8-1-5-12(24(48)21(8)45)13-6(2-9(43)22(46)25(13)49)39(60)65-34-11(4-63-37(5)58)64-38(59)7-3-10(44)23(47)26(50)14(7)15-18-16(28(52)32(56)27(15)51)17-19-20(30(54)33(57)29(17)53)31(55)35(66-41(19)62)36(34)67-40(18)61/h1-3,11,31,34-36,42-57H,4H2/t11?,31-,34?,35?,36?/m1/s1 | |
| Standard InChI Key: | UDYKDZHZAKSYCO-LSSWMSPRSA-N | |
| SMILES: | O=C1OC2COC(=O)c3cc(O)c(c(c3c3c(C(=O)OC2C2OC(=O)c4c(c5c1cc(O)c(c5O)O)c(O)c(O)c(c4c1c4C(=O)OC2[C@H](O)c4c(c(c1O)O)O)O)cc(O)c(c3O)O)O)O | |
Molecular propeties
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| AlogP: | 1.32 | |
|---|---|---|
| Hydrogen bonds acceptors: | 26 | |
| Hydrogen bonds donors: | 16 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 10 | |
| Molecular Weight: | 934.07 | |
| Topological polar surface area: | 455 | |
| Number of aromatic rings: | 5 | |
| Fsp3: | 0.146 | |
| Number of carbons: | 41 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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