Summary

IMPPAT Phytochemical identifier: IMPHY003093

Phytochemical name: Sugereoside

Synonymous chemical names:
sugereoside

External chemical identifiers:
CID:3082543

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Chemical structure information

SMILES:
OCC1OC(OCC2(O)CC34CC2CCC4C2(C(CC3)C(C)(C)C(=O)CC2)C)C(C(C1O)O)O

InChI:
InChI=1S/C26H42O8/c1-23(2)16-6-9-25-10-14(4-5-17(25)24(16,3)8-7-18(23)28)26(32,12-25)13-33-22-21(31)20(30)19(29)15(11-27)34-22/h14-17,19-22,27,29-32H,4-13H2,1-3H3

InChIKey:
XOCBTSXQUYSHOW-UHFFFAOYSA-N

DeepSMILES:
OCCOCOCCO)CCCC5CCC6CCCC%10))CC)C)C=O)CC6)))))C))))))))))))CCC6O))O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C(CCC34CC(CCC23)C(COC2CCCCO2)C4)C1

Scaffold Graph/Node level:
OC1CCC2C(CCC34CC(CCC23)C(COC2CCCCO2)C4)C1

Scaffold Graph level:
CC1CCC2C(CCC34CC(CCC5CCCCC5)C(CCC23)C4)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: Kaurane and Phyllocladane diterpenoids

NP-Likeness score: 3.223

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Chemical structure download