Summary

IMPPAT Phytochemical identifier: IMPHY002468

Phytochemical name: Alboside A

Synonymous chemical names:
alboside a

External chemical identifiers:
CID:101618849

---

Chemical structure information

SMILES:
OC[C@H]1O[C@@H](O[C@@H]2OC=C3C(C2C(=O)C)CCOC3=O)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C16H22O10/c1-6(18)10-7-2-3-23-14(22)8(7)5-24-15(10)26-16-13(21)12(20)11(19)9(4-17)25-16/h5,7,9-13,15-17,19-21H,2-4H2,1H3/t7?,9-,10?,11-,12+,13-,15+,16+/m1/s1

InChIKey:
ONWIFIWSHIQJQH-MQQNBHHUSA-N

DeepSMILES:
OC[C@H]O[C@@H]O[C@@H]OC=CCC6C=O)C)))CCOC6=O)))))))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CC(C)=O, CO, COC(=O)C1=CO[C@@H](O[C@@H](C)OC)CC1

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCCC2CC(OC3CCCCO3)OC=C12

Scaffold Graph/Node level:
OC1OCCC2CC(OC3CCCCO3)OCC21

Scaffold Graph level:
CC1CCCC2CC(CC3CCCCC3)CCC12

---

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: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Iridoids monoterpenoids, Secoiridoid monoterpenoids

NP-Likeness score: 2.49

---

Chemical structure download