Summary

IMPPAT Phytochemical identifier: IMPHY008242

Phytochemical name: Goshonoside F2

Synonymous chemical names:
goshonoside f2

External chemical identifiers:
CID:13855763, ChEBI:169785

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Chemical structure information

SMILES:
OC/C=C(/CCC1C(=C)CCC2C1(C)CCC(C2(C)COC1OC(CO)C(C(C1O)O)O)O)C

InChI:
InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+

InChIKey:
CWDBCXIAEGDANA-XNTDXEJSSA-N

DeepSMILES:
OC/C=C/CCCC=C)CCCC6C)CCCC6C)COCOCCO))CCC6O))O))O))))))))O))))))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2C(COC3CCCCO3)CCCC2C1

Scaffold Graph/Node level:
CC1CCC2C(COC3CCCCO3)CCCC2C1

Scaffold Graph level:
CC1CCC2C(CCC3CCCCC3)CCCC2C1

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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: 3.044

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Chemical structure download