Summary

SMILES: COC(=O)C[C@H]1/C(=C/COC(=O)/C=C/c2ccccc2)/[C@@H](OC=C1C(=O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
InChI: InChI=1S/C26H30O13/c1-35-20(29)11-16-15(9-10-36-19(28)8-7-14-5-3-2-4-6-14)25(37-13-17(16)24(33)34)39-26-23(32)22(31)21(30)18(12-27)38-26/h2-9,13,16,18,21-23,25-27,30-32H,10-12H2,1H3,(H,33,34)/b8-7+,15-9-/t16-,18+,21+,22-,23+,25-,26-/m0/s1
InChIKey: JGHUOJAZXGSFRI-HOWDAYCMSA-N
DeepSMILES: COC=O)C[C@H]/C=C/COC=O)/C=C/cccccc6))))))))))))/[C@@H]OC=C6C=O)O)))))O[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O
Scaffold Graph/Node/Bond level: O=C(C=Cc1ccccc1)OCC=C1CC=COC1OC1CCCCO1
Scaffold Graph/Node level: OC(CCC1CCCCC1)OCCC1CCCOC1OC1CCCCO1
Scaffold Graph level: CC(CCCC1CCCCC1CC1CCCCC1)CCC1CCCCC1
Functional groups: C/C=C1/CC(C(=O)O)=CO[C@H]1O[C@@H](C)OC; CO; COC(C)=O; c/C=C/C(=O)OC

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Chemical classification

ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like molecules
ClassyFire Class: Prenol lipids
ClassyFire Subclass: Terpene glycosides
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Monoterpenoids
NP Classifier Class: Secoiridoid monoterpenoids

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Synonymous chemical names:
jasminoside

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External chemical identifiers:
CID:23786444; ZINC:ZINC000038143799; MolPort-001-742-270

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Chemical structure download