Summary

IMPPAT Phytochemical identifier: IMPHY012418

Phytochemical name: Depressoside

Synonymous chemical names:
depressoside

External chemical identifiers:
CID:180722

---

Chemical structure information

SMILES:
OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@@H](C)[C@H](C3)O[C@@H]2O[C@H](COC(=O)c3cccc(c3O)O)[C@H]([C@@H]([C@H]2O)O)O)C(=O)Oc2cccc(c2O)O)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C35H42O20/c1-12-19(52-34-29(45)28(44)26(42)21(54-34)11-49-31(47)13-4-2-5-16(37)23(13)39)8-14-15(32(48)51-18-7-3-6-17(38)24(18)40)10-50-33(22(12)14)55-35-30(46)27(43)25(41)20(9-36)53-35/h2-7,10,12,14,19-22,25-30,33-46H,8-9,11H2,1H3/t12-,14+,19-,20+,21+,22+,25+,26+,27-,28-,29+,30+,33-,34+,35-/m0/s1

InChIKey:
FQFLPXQDVYDGMN-ZJZBFNCMSA-N

DeepSMILES:
OC[C@H]O[C@@H]O[C@@H]OC=C[C@@H][C@H]6[C@@H]C)[C@H]C5)O[C@@H]O[C@H]COC=O)cccccc6O))O)))))))))[C@H][C@@H][C@H]6O))O))O))))))))))C=O)Occcccc6O))O)))))))))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CO, CO[C@@H](C)OC, cC(=O)OC, cO, cOC(=O)C1=CO[C@@H](O[C@@H](C)OC)CC1

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(Oc1ccccc1)C1=COC(OC2CCCCO2)C2CC(OC3CCCC(COC(=O)c4ccccc4)O3)CC12

Scaffold Graph/Node level:
OC(OCC1CCCC(OC2CC3C(OC4CCCCO4)OCC(C(O)OC4CCCCC4)C3C2)O1)C1CCCCC1

Scaffold Graph level:
CC(CCC1CCCC(CC2CC3C(CC4CCCCC4)CCC(C(C)CC4CCCCC4)C3C2)C1)C1CCCCC1

---

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: Monoterpenoids

NP Classifier Class: Iridoids monoterpenoids

NP-Likeness score: 1.52

---

Chemical structure download