Summary

IMPPAT Phytochemical identifier: IMPHY001970

Phytochemical name: Zizybeoside I

Synonymous chemical names:
zizybeoside i

External chemical identifiers:
CID:11972301, ChEBI:81187, ZINC:ZINC000056874662

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](OCc2ccccc2)[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/C19H28O11/c20-6-10-12(22)14(24)16(26)18(28-10)30-17-15(25)13(23)11(7-21)29-19(17)27-8-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12-,13-,14+,15+,16-,17-,18+,19-/m1/s1

InChIKey:
WKXRKKUZTXIFJY-UELUTJGDSA-N

DeepSMILES:
OC[C@H]O[C@@H]OCcccccc6))))))))[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(COC2OCCCC2OC2CCCCO2)cc1

Scaffold Graph/Node level:
C1CCC(COC2OCCCC2OC2CCCCO2)CC1

Scaffold Graph level:
C1CCC(CCC2CCCCC2CC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP-Likeness score: 1.492

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Chemical structure download