Summary

IMPPAT Phytochemical identifier: IMPHY001891

Phytochemical name: Tenacissoside L

Synonymous chemical names:
tenacissoside l

External chemical identifiers:
CID:11657939, ZINC:ZINC000255248772

---

Chemical structure information

SMILES:
CO[C@H]1C[C@H](O[C@H]2CC[C@]3([C@H](C2)CC[C@@]2([C@@H]3C[C@@H](O)[C@]3([C@]2(O)CC[C@@]3(O)[C@@H](O)C)C)O)C)O[C@@H]([C@H]1O[C@H]1C[C@H](OC)[C@@H]([C@H](O1)C)O[C@@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)OC)O)C

InChI:
InChI=1S/C42H72O16/c1-20-32(45)36(52-9)33(46)37(55-20)58-35-22(3)54-31(18-27(35)51-8)57-34-21(2)53-30(17-26(34)50-7)56-25-11-12-38(5)24(16-25)10-13-41(48)28(38)19-29(44)39(6)40(47,23(4)43)14-15-42(39,41)49/h20-37,43-49H,10-19H2,1-9H3/t20-,21-,22-,23+,24+,25+,26+,27+,28-,29-,30+,31+,32-,33-,34-,35-,36+,37+,38+,39-,40-,41+,42-/m1/s1

InChIKey:
NTSQICOYYNAVPJ-XDGSDNFLSA-N

DeepSMILES:
CO[C@H]C[C@H]O[C@H]CC[C@][C@H]C6)CC[C@@][C@@H]6C[C@@H]O)[C@][C@]6O)CC[C@@]5O)[C@@H]O)C))))))C)))))O)))))C))))))O[C@@H][C@H]6O[C@H]C[C@H]OC))[C@@H][C@H]O6)C))O[C@@H]O[C@H]C)[C@H][C@@H][C@H]6O))OC)))O))))))))))))C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(OC2CCC(OC3CCC(OC4CCC5C(CCC6C7CCCC7CCC56)C4)OC3)OC2)OC1

Scaffold Graph/Node level:
C1CCC(OC2CCC(OC3CCC(OC4CCC5C(CCC6C7CCCC7CCC56)C4)OC3)OC2)OC1

Scaffold Graph level:
C1CCC(CC2CCC(CC3CCC(CC4CCC5C(CCC6C7CCCC7CCC56)C4)CC3)CC2)CC1

---

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: Pregnane steroids

NP-Likeness score: 2.336

---

Chemical structure download