Summary

IMPPAT Phytochemical identifier: IMPHY009555

Phytochemical name: Trigalactosylglycerol

Synonymous chemical names:
trigalactosylglycerol

External chemical identifiers:
CID:129829804

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Chemical structure information

SMILES:
OC[C@H]1OC([C@@H]([C@H]([C@H]1O)O)O)C(C(C1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)(CO)O)(C1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O

InChI:
InChI=1S/C21H38O18/c22-1-5-8(26)11(29)14(32)17(37-5)20(35,4-25)21(36,18-15(33)12(30)9(27)6(2-23)38-18)19-16(34)13(31)10(28)7(3-24)39-19/h5-19,22-36H,1-4H2/t5-,6-,7-,8+,9+,10+,11+,12+,13+,14-,15-,16-,17?,18?,19?,20?,21?/m1/s1

InChIKey:
KQFUYRNDJMVQKK-AEGDHBCISA-N

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

Functional groups:
CO, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(CC(C2CCCCO2)C2CCCCO2)OC1

Scaffold Graph/Node level:
C1CCC(CC(C2CCCCO2)C2CCCCO2)OC1

Scaffold Graph level:
C1CCC(CC(C2CCCCC2)C2CCCCC2)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: Carbohydrates

NP Classifier Superclass: Saccharides

NP Classifier Class: Polysaccharides

NP-Likeness score: 0.699

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Chemical structure download