Summary

IMPPAT Phytochemical identifier: IMPHY009550

Phytochemical name: Ginsenoside-La

Synonymous chemical names:
ginsenoside la, ginsenoside-la

External chemical identifiers:
CID:130009

---

Chemical structure information

SMILES:
OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(C2(C)C)CC[C@@H]2[C@@H]3C[C@H]3O[C@@H](C=C(C)C)C[C@]([C@@H]4C3[C@]2(C)CC4)(C)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C41H68O13/c1-19(2)14-20-16-41(7,54-37-35(49)33(47)31(45)26(18-43)52-37)22-10-12-40(6)21-8-9-27-38(3,4)28(53-36-34(48)32(46)30(44)25(17-42)51-36)11-13-39(27,5)23(21)15-24(50-20)29(22)40/h14,20-37,42-49H,8-13,15-18H2,1-7H3/t20-,21+,22-,23-,24+,25+,26+,27?,28-,29?,30+,31+,32-,33-,34+,35+,36-,37-,39+,40+,41-/m0/s1

InChIKey:
VOUCMBDNXOKLCQ-YATHHJDDSA-N

DeepSMILES:
OC[C@H]O[C@@H]O[C@H]CC[C@]CC6C)C))CC[C@@H][C@@H]6C[C@H]O[C@@H]C=CC)C)))C[C@][C@@H]C7[C@]%11C)CC5)))))C)O[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O)))))))))))))))))C))))))[C@@H][C@H][C@@H]6O))O))O

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(OC2CCC3C(CCC4C3CC3OCCC(OC5CCCCO5)C5CCC4C35)C2)OC1

Scaffold Graph/Node level:
C1CCC(OC2CCC3C(CCC4C3CC3OCCC(OC5CCCCO5)C5CCC4C35)C2)OC1

Scaffold Graph level:
C1CCC(CC2CCC3C(CCC4C3CC3CCCC(CC5CCCCC5)C5CCC4C35)C2)CC1

---

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: 2.238

---

Chemical structure download