Summary

IMPPAT Phytochemical identifier: IMPHY008298

Phytochemical name: Goshonoside F4

Synonymous chemical names:
goshonoside f4

External chemical identifiers:
CID:131752350, ChEBI:169901

---

Chemical structure information

SMILES:
OCC1OC(OC/C=C(CCC2C(=C)CCC3C2(C)CCCC3(C)COC2OC(CO)C(C(C2O)O)O)/C)C(C(C1O)O)O

InChI:
InChI=1S/C32H54O12/c1-17(10-13-41-29-27(39)25(37)23(35)20(14-33)43-29)6-8-19-18(2)7-9-22-31(3,11-5-12-32(19,22)4)16-42-30-28(40)26(38)24(36)21(15-34)44-30/h10,19-30,33-40H,2,5-9,11-16H2,1,3-4H3/b17-10-

InChIKey:
YQDMUEBOTCUADA-YVLHZVERSA-N

DeepSMILES:
OCCOCOC/C=CCCCC=C)CCCC6C)CCCC6C)COCOCCO))CCC6O))O))O)))))))))))))))))))/C)))))CCC6O))O))O

Functional groups:
C/C=C(C)C, C=C(C)C, CO, COC(C)OC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2C(COC3CCCCO3)CCCC2C1CCC=CCOC1CCCCO1

Scaffold Graph/Node level:
CC1CCC2C(COC3CCCCO3)CCCC2C1CCCCCOC1CCCCO1

Scaffold Graph level:
CC1CCC2C(CCC3CCCCC3)CCCC2C1CCCCCCC1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene glycosides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Labdane diterpenoids

NP-Likeness score: 2.249

---

Chemical structure download