Summary

IMPPAT Phytochemical identifier: IMPHY008833

Phytochemical name: Gypenoside VII

Synonymous chemical names:
gypenoside vii

Chemical structure information

SMILES:
CC(=CCCC(C1CCC2(C1C(O)CC1C2(C)CCC2C1(C)CCC(C2(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@H]([C@H]1O)O)O)C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@H]([C@H]([C@H]2O)O)O)[C@H]([C@H]([C@H]1O)O)O)C)C

InChI:
InChI=1S/C54H92O21/c1-23(2)12-11-16-54(10,75-49-45(67)41(63)37(59)29(73-49)22-69-47-43(65)39(61)35(57)25(4)71-47)26-13-18-53(9)33(26)27(55)20-31-51(7)17-15-32(50(5,6)30(51)14-19-52(31,53)8)74-48-44(66)40(62)36(58)28(72-48)21-68-46-42(64)38(60)34(56)24(3)70-46/h12,24-49,55-67H,11,13-22H2,1-10H3/t24-,25-,26?,27?,28-,29-,30?,31?,32?,33?,34+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48+,49+,51?,52?,53?,54?/m1/s1

InChIKey:
PTKYVVJAAYISRE-VXOMVRQYSA-N

DeepSMILES:
CC=CCCCCCCCC5CO)CCC6C)CCCC6C)CCCC6C)C))O[C@@H]O[C@H]CO[C@@H]O[C@H]C)[C@@H][C@H][C@H]6O))O))O)))))))[C@H][C@H][C@H]6O))O))O))))))))))))))))))C)))))O[C@@H]O[C@H]CO[C@@H]O[C@H]C)[C@H][C@H][C@H]6O))O))O)))))))[C@H][C@H][C@H]6O))O))O))))))C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(OCC2CCCC(OCC3CCC4C3CCC3C5CCC(OC6CCCC(COC7CCCCO7)O6)CC5CCC43)O2)OC1

Scaffold Graph/Node level:
C1CCC(OCC2CCCC(OCC3CCC4C3CCC3C5CCC(OC6CCCC(COC7CCCCO7)O6)CC5CCC43)O2)OC1

Scaffold Graph level:
C1CCC(CCC2CCCC(CCC3CCC4C3CCC3C5CCC(CC6CCCC(CCC7CCCCC7)C6)CC5CCC43)C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Triterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Dammarane and Protostane triterpenoids

NP-Likeness score: 1.947

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Chemical structure download