Summary

IMPPAT Phytochemical identifier: IMPHY009549

Phytochemical name: Fructosylsucrose

Synonymous chemical names:
fructosylsucrose

External chemical identifiers:
CID:129637494

---

Chemical structure information

SMILES:
OC[C@H]1O[C@@](OC2(CO)O[C@@H]([C@H]([C@@H]2O)O)CO)([C@@H]([C@H]([C@@H]1O)O)O)C1O[C@@](O)(CO)[C@H]([C@@H]([C@@H]1O)O)O

InChI:
InChI=1S/C18H32O17/c19-1-5-7(23)9(25)14(30)18(33-5,15-11(27)10(26)12(28)16(31,3-21)34-15)35-17(4-22)13(29)8(24)6(2-20)32-17/h5-15,19-31H,1-4H2/t5-,6-,7-,8-,9+,10-,11+,12+,13+,14-,15?,16+,17?,18-/m1/s1

InChIKey:
MQWKEVAQXLEZEE-HFWDFKEKSA-N

DeepSMILES:
OC[C@H]O[C@@]OCCO))O[C@@H][C@H][C@@H]5O))O))CO))))))[C@@H][C@H][C@@H]6O))O))O))CO[C@@]O)CO))[C@H][C@@H][C@@H]6O))O))O

Functional groups:
CC(C)(OC)O[C@@](C)(C)OC, CO, CO[C@@](C)(C)O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(C2(OC3CCCO3)CCCCO2)OC1

Scaffold Graph/Node level:
C1CCC(C2(OC3CCCO3)CCCCO2)OC1

Scaffold Graph level:
C1CCC(C2(CC3CCCC3)CCCCC2)CC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Carbohydrates

NP Classifier Superclass: Saccharides

NP Classifier Class: Polysaccharides

NP-Likeness score: 1.452

---

Chemical structure download