Summary

IMPPAT Phytochemical identifier: IMPHY010085

Phytochemical name: Ginsenoside RG4

Synonymous chemical names:
ginsenoside f4, ginsenoside rg4

External chemical identifiers:
CID:102004835, ChEBI:176310, ZINC:ZINC000252463678, MolPort-039-339-040

---

Chemical structure information

SMILES:
OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2/C(=CCC=C(C)C)/C)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O

InChI:
InChI=1S/C42H70O12/c1-20(2)11-10-12-21(3)23-13-16-41(8)29(23)24(44)17-27-40(7)15-14-28(45)39(5,6)36(40)25(18-42(27,41)9)52-38-35(33(49)31(47)26(19-43)53-38)54-37-34(50)32(48)30(46)22(4)51-37/h11-12,22-38,43-50H,10,13-19H2,1-9H3/b21-12-/t22-,23+,24+,25-,26+,27+,28-,29-,30-,31+,32+,33-,34+,35+,36-,37-,38+,40+,41+,42+/m0/s1

InChIKey:
QOMBXPYXWGTFNR-KRPFXEAISA-N

DeepSMILES:
OC[C@H]O[C@@H]O[C@H]C[C@]C)[C@@H][C@@][C@@H]6CC)C)[C@@H]O)CC6)))))C))C[C@H][C@H][C@@]6C)CC[C@@H]5/C=CCC=CC)C)))))/C)))))))O))))))))[C@@H][C@H][C@@H]6O))O))O[C@@H]O[C@@H]C)[C@@H][C@H][C@H]6O))O))O

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(OC2CCCOC2OC2CC3C4CCCC4CCC3C3CCCCC23)OC1

Scaffold Graph/Node level:
C1CCC(OC2CCCOC2OC2CC3C4CCCC4CCC3C3CCCCC23)OC1

Scaffold Graph level:
C1CCC(CC2CCCCC2CC2CC3C4CCCC4CCC3C3CCCCC23)CC1

---

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: Dammarane and Protostane triterpenoids

NP-Likeness score: 2.989

---

Chemical structure download