Summary

IMPPAT Phytochemical identifier: IMPHY008253

Phytochemical name: Goshonoside F3

Synonymous chemical names:
goshonoside f3

External chemical identifiers:
CID:131752349

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Chemical structure information

SMILES:
OCC1OC(OC/C=C(CCC2C(=C)CCC3C2(C)CCCC3(C)C(=O)OC2OC(CO)C(C(C2O)O)O)/C)C(C(C1O)O)O

InChI:
InChI=1S/C32H52O13/c1-16(10-13-42-28-26(39)24(37)22(35)19(14-33)43-28)6-8-18-17(2)7-9-21-31(18,3)11-5-12-32(21,4)30(41)45-29-27(40)25(38)23(36)20(15-34)44-29/h10,18-29,33-40H,2,5-9,11-15H2,1,3-4H3/b16-10-

InChIKey:
DQBCTTXPKJBNHF-YBEGLDIGSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2C(C(=O)OC3CCCCO3)CCCC2C1CCC=CCOC1CCCCO1

Scaffold Graph/Node level:
CC1CCC2C(C(O)OC3CCCCO3)CCCC2C1CCCCCOC1CCCCO1

Scaffold Graph level:
CC1CCC2C(C(C)CC3CCCCC3)CCCC2C1CCCCCCC1CCCCC1

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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: 2.306

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Chemical structure download