Summary

IMPPAT Phytochemical identifier: IMPHY008836

Phytochemical name: Cuchiloside

Synonymous chemical names:
cuchiloside

Chemical structure information

SMILES:
Oc1ccc(cc1)CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@H]([C@H]([C@H]2O)O)O)[C@H]([C@H]([C@H]1O)O)O

InChI:
InChI=1S/C19H28O11/c20-10-3-1-9(2-4-10)5-6-27-19-17(26)15(24)14(23)12(30-19)8-29-18-16(25)13(22)11(21)7-28-18/h1-4,11-26H,5-8H2/t11-,12-,13-,14-,15-,16-,17-,18+,19-/m1/s1

InChIKey:
COATVAWKNHHMEI-RQASCESESA-N

DeepSMILES:
Occcccc6))CCO[C@@H]O[C@H]CO[C@@H]OC[C@H][C@H][C@H]6O))O))O)))))))[C@H][C@H][C@H]6O))O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CCOC2CCCC(COC3CCCCO3)O2)cc1

Scaffold Graph/Node level:
C1CCC(CCOC2CCCC(COC3CCCCO3)O2)CC1

Scaffold Graph level:
C1CCC(CCCC2CCCC(CCC3CCCCC3)C2)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 Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylethanoids (C6-C2)

NP Classifier Class: Phenylethanoids

NP-Likeness score: 1.8

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Chemical structure download