Summary

IMPPAT Phytochemical identifier: IMPHY016911

Phytochemical name: Trigofoenoside G

Synonymous chemical names:
trigofoenoside g

External chemical identifiers:
CID:131752408

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Chemical structure information

SMILES:
OCC1OC(OCC2OC(OC3CCC4(C(=CCC5C4CCC4(C5CC5C4C(C)C(O5)(O)CCC(COC4OC(CO)C(C(C4O)O)O)C)C)C3)C)C(C(C2O)O)O)C(C(C1OC1OCC(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O

InChI:
InChI=1S/C56H92O27/c1-21(18-73-49-43(68)40(65)37(62)31(16-57)78-49)8-13-56(72)22(2)34-30(83-56)15-28-26-7-6-24-14-25(9-11-54(24,4)27(26)10-12-55(28,34)5)77-52-45(70)41(66)38(63)33(80-52)20-75-53-48(82-51-44(69)39(64)35(60)23(3)76-51)46(71)47(32(17-58)79-53)81-50-42(67)36(61)29(59)19-74-50/h6,21-23,25-53,57-72H,7-20H2,1-5H3

InChIKey:
BTKYWGCMCQREJD-UHFFFAOYSA-N

DeepSMILES:
OCCOCOCCOCOCCCCC=CCCC6CCCC6CCC5CC)CO5)O)CCCCOCOCCO))CCC6O))O))O)))))))C))))))))))C))))))))C6))C))))))CCC6O))O))O)))))))CCC6OCOCCCC6O))O))O)))))))O))OCOCC)CCC6O))O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CC(OC3CCCC(COC4OCC(OC5CCCCO5)CC4OC4CCCCO4)O3)CCC2C2CCC3C4CC(CCCCOC5CCCCO5)OC4CC3C2C1

Scaffold Graph/Node level:
C(CCC1CC2C(CC3C2CCC2C4CCC(OC5CCCC(COC6OCC(OC7CCCCO7)CC6OC6CCCCO6)O5)CC4CCC23)O1)COC1CCCCO1

Scaffold Graph level:
C1CCC(CCCCCC2CC3CC4C(CCC5C6CCC(CC7CCCC(CCC8CCC(CC9CCCCC9)CC8CC8CCCCC8)C7)CC6CCC54)C3C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Steroids and steroid derivatives

ClassyFire Subclass: Steroidal glycosides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Steroids

NP Classifier Class: Furostane steroids

NP-Likeness score: 2.106

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Chemical structure download