Summary

IMPPAT Phytochemical identifier: IMPHY009598

Phytochemical name: Pteroside B

Synonymous chemical names:
pteroside b

External chemical identifiers:
CID:134279, ChEMBL:CHEMBL4089910, ChEBI:166497, ZINC:ZINC000006070297

---

Chemical structure information

SMILES:
OC[C@H]1O[C@@H](OCCc2c(C)cc3c(c2C)C(=O)[C@@H](C3)C)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C20H28O7/c1-9-6-12-7-10(2)16(22)15(12)11(3)13(9)4-5-26-20-19(25)18(24)17(23)14(8-21)27-20/h6,10,14,17-21,23-25H,4-5,7-8H2,1-3H3/t10-,14-,17-,18+,19-,20-/m1/s1

InChIKey:
UQYNGSPDPASNLN-BLAIOOKWSA-N

DeepSMILES:
OC[C@H]O[C@@H]OCCccC)cccc6C))C=O)[C@@H]C5)C)))))))))))[C@@H][C@H][C@@H]6O))O))O

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCc2ccc(CCOC3CCCCO3)cc21

Scaffold Graph/Node level:
OC1CCC2CCC(CCOC3CCCCO3)CC12

Scaffold Graph level:
CC1CCC2CCC(CCCC3CCCCC3)CC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 2.339

---

Chemical structure download