Summary

IMPPAT Phytochemical identifier: IMPHY006897

Phytochemical name: Momordicoside D

Synonymous chemical names:
momordicoside d

External chemical identifiers:
CID:131751649

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Chemical structure information

SMILES:
OCC1OC(OCC2OC(OC3CCC4C(=CCC5C4(C)CCC4(C5(C)CCC4C(C(C(C=C(C)C)O)O)C)C)C3(C)C)C(C(C2O)O)O)C(C(C1O)O)O

InChI:
InChI=1S/C42H70O13/c1-20(2)17-25(44)30(45)21(3)22-13-14-42(8)28-11-9-23-24(40(28,6)15-16-41(22,42)7)10-12-29(39(23,4)5)55-38-36(51)34(49)32(47)27(54-38)19-52-37-35(50)33(48)31(46)26(18-43)53-37/h9,17,21-22,24-38,43-51H,10-16,18-19H2,1-8H3

InChIKey:
MIVTTWSEHJAYFE-UHFFFAOYSA-N

DeepSMILES:
OCCOCOCCOCOCCCCC=CCCC6C)CCCC6C)CCC5CCCC=CC)C)))O))O))C))))))C))))))))C6C)C))))))))CCC6O))O))O)))))))CCC6O))O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CC(OC3CCCC(COC4CCCCO4)O3)CCC2C2CCC3CCCC3C2C1

Scaffold Graph/Node level:
C1CCC(OCC2CCCC(OC3CCC4C(CCC5C6CCCC6CCC45)C3)O2)OC1

Scaffold Graph level:
C1CCC(CCC2CCCC(CC3CCC4C(CCC5C6CCCC6CCC45)C3)C2)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: Triterpenoids

NP Classifier Class: Cucurbitane triterpenoids

NP-Likeness score: 2.773

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Chemical structure download