Bioactive Compound Details
| BioID | bio200376 |
|---|---|
| Name | HELIANTHOSIDE 2 |
| ChEMBL ID | CHEMBL388346 |
| Molecular Formula | C64H104O30 |
| Molecular Weight | 1353.51 |
| Molecular Weight (Monoisotopic) | 1352.6612 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Helianthoside 2 |
| Smiles | C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H]7O)[C@H](O)C[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@H](CO)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| Inchi | InChI=1S/C64H104O30/c1-24-36(70)40(74)44(78)53(85-24)92-50-47(81)56(88-31(21-66)49(50)91-52-43(77)37(71)28(67)22-83-52)89-35-13-14-61(7)32(60(35,5)6)12-15-62(8)33(61)11-10-26-27-18-59(3,4)16-17-64(27,34(69)19-63(26,62)9)58(82)94-57-51(38(72)29(68)23-84-57)93-54-46(80)42(76)48(25(2)86-54)90-55-45(79)41(75)39(73)30(20-65)87-55/h10,24-25,27-57,65-81H,11-23H2,1-9H3/t24-,25-,27-,28+,29-,30+,31+,32-,33+,34+,35-,36-,37-,38-,39+,40+,41-,42-,43+,44+,45+,46+,47+,48-,49+,50+,51+,52-,53-,54-,55-,56-,57-,61-,62+,63+,64+/m0/s1 |
| Inchi Key | SNAUYRCWNWNXAE-NCXXKHKJSA-N |
| Molecular Species | None |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | None |
| Records Key | ['2'] |
| Records Name | ['helianthoside 2'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
