Summary

IMPPAT Phytochemical identifier: IMPHY013691

Phytochemical name: Lucyoside M

Synonymous chemical names:
lucyoside m

External chemical identifiers:
CID:131751578, ChEBI:176325

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Chemical structure information

SMILES:
OCC1OC(OC(=O)C23CCC4(C(=CCC5C4(C)CCC4C5(C)CCC(C4(C)C=O)OC4OC(COC(=O)C)C(C(C4O)O)O)C3CC(CC2)(C)C)C)C(C(C1O)O)O

InChI:
InChI=1S/C44H68O15/c1-22(47)55-20-26-31(49)33(51)34(52)36(57-26)58-29-11-12-40(4)27(41(29,5)21-46)10-13-43(7)28(40)9-8-23-24-18-39(2,3)14-16-44(24,17-15-42(23,43)6)38(54)59-37-35(53)32(50)30(48)25(19-45)56-37/h8,21,24-37,45,48-53H,9-20H2,1-7H3

InChIKey:
FNSXRAISABPGKU-UHFFFAOYSA-N

DeepSMILES:
OCCOCOC=O)CCCCC=CCCC6C)CCCC6C)CCCC6C)C=O)))OCOCCOC=O)C))))CCC6O))O))O)))))))))))))))))C6CCCC%10))C)C)))))C)))))))CCC6O))O))O

Functional groups:
CC=C(C)C, CC=O, CO, COC(C)=O, COC(C)OC, COC(C)OC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(OC1CCCCO1)C12CCCCC1C1=CCC3C4CCC(OC5CCCCO5)CC4CCC3C1CC2

Scaffold Graph/Node level:
OC(OC1CCCCO1)C12CCCCC1C1CCC3C4CCC(OC5CCCCO5)CC4CCC3C1CC2

Scaffold Graph level:
CC(CC1CCCCC1)C12CCCCC1C1CCC3C4CCC(CC5CCCCC5)CC4CCC3C1CC2

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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: Triterpenoids

NP Classifier Class: Oleanane triterpenoids

NP-Likeness score: 2.639

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Chemical structure download