Summary

IMPPAT Phytochemical identifier: IMPHY008290

Phytochemical name: Goshonoside F7

Synonymous chemical names:
goshonoside f7

External chemical identifiers:
CID:131752351

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Chemical structure information

SMILES:
OCC1OC(OC/C=C(CCC2C(=C)CCC3C2(C)CCC(C3(C)C)OC2OC(CO)C(C(C2O)O)O)/C)C(C(C1O)O)O

InChI:
InChI=1S/C32H54O12/c1-16(11-13-41-29-27(39)25(37)23(35)19(14-33)42-29)6-8-18-17(2)7-9-21-31(3,4)22(10-12-32(18,21)5)44-30-28(40)26(38)24(36)20(15-34)43-30/h11,18-30,33-40H,2,6-10,12-15H2,1,3-5H3/b16-11-

InChIKey:
HILPXFUUVMCHIZ-WJDWOHSUSA-N

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

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=C1CCC2CC(OC3CCCCO3)CCC2C1CCC=CCOC1CCCCO1

Scaffold Graph/Node level:
CC1CCC2CC(OC3CCCCO3)CCC2C1CCCCCOC1CCCCO1

Scaffold Graph level:
CC1CCC2CC(CC3CCCCC3)CCC2C1CCCCCCC1CCCCC1

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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: 2.445

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Chemical structure download