Summary

IMPPAT Phytochemical identifier: IMPHY008338

Phytochemical name: Goshonoside F6

Synonymous chemical names:
goshonoside f6

External chemical identifiers:
CID:131752396

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Chemical structure information

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

InChI:
InChI=1S/C31H52O12/c1-16(5-7-18-17(2)6-8-21-30(18,3)11-9-22(34)31(21,4)15-33)10-12-40-28-27(39)25(37)24(36)20(43-28)14-41-29-26(38)23(35)19(13-32)42-29/h10,18-29,32-39H,2,5-9,11-15H2,1,3-4H3/b16-10+

InChIKey:
NUDLZKKCTSSWNM-MHWRWJLKSA-N

DeepSMILES:
OCCOCCC5O))O))OCCOCOC/C=C/CCCC=C)CCCC6C)CCCC6C)CO)))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=C1CCC2CCCCC2C1CCC=CCOC1CCCC(COC2CCCO2)O1

Scaffold Graph/Node level:
CC1CCC2CCCCC2C1CCCCCOC1CCCC(COC2CCCO2)O1

Scaffold Graph level:
CC1CCC2CCCCC2C1CCCCCCC1CCCC(CCC2CCCC2)C1

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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: 2.558

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Chemical structure download