|
Compound Information
|
| ID |
78 |
| TrivialName |
malonylfloralginsenoside Rd6 |
| Type |
PPD |
| MF |
C₅₄H₈₆O₂₄ |
| MolecularWeight |
1119.258 |
| IUPACName |
NT |
| m/z |
1117.5439 |
| Retention Time |
19.05 |
| CCS |
347.57 |
| Adducts |
[M−H]− |
| Isomeric SMILES |
CC1(C)[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(CC(O)=O)=O)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)CC[C@@]4(C)C1CC[C@]5(C)C4C[C@@H](O)C6[C@@]5(C)CCC6[C@@](CC/C=C(C)/C)(C)O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(CC(O)=O)=O)O7 |
| Canonical SMILES |
CC(C)=CCCC(C)(OC1OC(COC(=O)CC(=O)O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)C(C)(C)C3CCC12C |
| Source |
PG |
| Functions |
Anti-cancer |
| Year |
2017 |
| References |
Qui et al. (2017)
|
| Structure |
|
