Summary

IMPPAT Phytochemical identifier: IMPHY013003

Phytochemical name: Grandoside

Synonymous chemical names:
grandoside

External chemical identifiers:
CID:10341593, ZINC:ZINC000038559332

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](OCCC(C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O

InChI:
InChI=1S/C17H32O11/c1-7(2)3-4-25-17-15(13(23)11(21)9(6-19)27-17)28-16-14(24)12(22)10(20)8(5-18)26-16/h7-24H,3-6H2,1-2H3/t8-,9-,10-,11-,12+,13+,14-,15-,16+,17-/m1/s1

InChIKey:
VLRGBWXSYFMTKJ-VGNHIMHRSA-N

DeepSMILES:
OC[C@H]O[C@@H]OCCCC)C)))))[C@@H][C@H][C@@H]6O))O))O[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O

Functional groups:
CO, CO[C@@H](C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(OC2CCCOC2)OC1

Scaffold Graph/Node level:
C1CCC(OC2CCCOC2)OC1

Scaffold Graph level:
C1CCC(CC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acyl glycosides

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 1.765

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Chemical structure download