Summary

IMPPAT Phytochemical identifier: IMPHY005638

Phytochemical name: Licoagroside B

Synonymous chemical names:
licoagroside b

External chemical identifiers:
CID:22297602, ChEBI:142266, MolPort-005-945-007

---

Chemical structure information

SMILES:
OC(=O)CC(CC(=O)OC[C@H]1O[C@@H](Oc2c(C)occc2=O)[C@@H]([C@H]([C@@H]1O)O)O)(O)C

InChI:
InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)/t10-,13-,14+,15-,17+,18?/m1/s1

InChIKey:
WCVUIHQUPRXYKT-RGCIIANRSA-N

DeepSMILES:
OC=O)CCCC=O)OC[C@H]O[C@@H]OccC)occc6=O))))))))[C@@H][C@H][C@@H]6O))O))O)))))))))O)C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccocc1OC1CCCCO1

Scaffold Graph/Node level:
OC1CCOCC1OC1CCCCO1

Scaffold Graph level:
CC1CCCCC1CC1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Saccharolipids

NP-Likeness score: 1.88

---

Chemical structure download