Summary

IMPPAT Phytochemical identifier: IMPHY005181

Phytochemical name: Primeveroside

Synonymous chemical names:
primeveroside

External chemical identifiers:
CID:21630462

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Chemical structure information

SMILES:
O[C@H]1[C@H](O)[C@@H](CO[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)O[C@H]([C@@H]1O)O[C@@H](c1ccccc1)C

InChI:
InChI=1S/C19H28O10/c1-9(10-5-3-2-4-6-10)28-19-17(25)15(23)14(22)12(29-19)8-27-18-16(24)13(21)11(20)7-26-18/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13+,14-,15+,16-,17-,18+,19-/m1/s1

InChIKey:
VXOJXCBBJWLAPR-QNUDGYJQSA-N

DeepSMILES:
O[C@H][C@H]O)[C@@H]CO[C@@H]OC[C@H][C@@H][C@H]6O))O))O)))))))O[C@H][C@@H]6O))O[C@@H]cccccc6))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(COC2CCCC(COC3CCCCO3)O2)cc1

Scaffold Graph/Node level:
C1CCC(COC2CCCC(COC3CCCCO3)O2)CC1

Scaffold Graph level:
C1CCC(CCC2CCCC(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-Likeness score: 1.436

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Chemical structure download