Summary

IMPPAT Phytochemical identifier: IMPHY003327

Phytochemical name: Tetraglucoside

Synonymous chemical names:
tetraglucoside

External chemical identifiers:
CID:189098, ZINC:ZINC000097943174, SureChEMBL:SCHEMBL9143273, MolPort-019-996-867

---

Chemical structure information

SMILES:
OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)O

InChI:
InChI=1S/C24H42O21/c25-1-6(29)11(31)20(7(30)2-26)44-24-19(39)16(36)21(9(4-28)42-24)45-23-18(38)15(35)13(33)10(43-23)5-40-22-17(37)14(34)12(32)8(3-27)41-22/h1,6-24,26-39H,2-5H2/t6-,7+,8+,9+,10+,11+,12+,13+,14-,15-,16+,17+,18+,19+,20+,21+,22-,23+,24+/m0/s1

InChIKey:
HDKHYSDETIRMHM-CDGFVBQXSA-N

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

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(OCC2CCCC(OC3CCCOC3)O2)OC1

Scaffold Graph/Node level:
C1CCC(OCC2CCCC(OC3CCCOC3)O2)OC1

Scaffold Graph level:
C1CCC(CCC2CCCC(CC3CCCCC3)C2)CC1

---

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: Disaccharides, Polysaccharides

NP-Likeness score: 1.862

---

Chemical structure download