Summary

IMPPAT Phytochemical identifier: IMPHY008494

Phytochemical name: Galiridoside

Synonymous chemical names:
galiridoside

External chemical identifiers:
CID:21604823, ZINC:ZINC000095911563, SureChEMBL:SCHEMBL9057635

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@]3([C@H]2[C@@]2(C)O[C@H]2C3)O)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C15H22O9/c1-14-7(24-14)4-15(20)2-3-21-13(11(14)15)23-12-10(19)9(18)8(17)6(5-16)22-12/h2-3,6-13,16-20H,4-5H2,1H3/t6-,7+,8-,9+,10-,11-,12+,13+,14+,15-/m1/s1

InChIKey:
RUROMUOJORASTD-VOAFIZDZSA-N

DeepSMILES:
OC[C@H]O[C@@H]O[C@@H]OC=C[C@@][C@H]6[C@@]C)O[C@H]3C6)))))O)))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CO, CO[C@H](C)O[C@H]1CCC=CO1, C[C@@H]1O[C@]1(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CC3OC3C2C(OC2CCCCO2)O1

Scaffold Graph/Node level:
C1CCC(OC2OCCC3CC4OC4C32)OC1

Scaffold Graph level:
C1CCC(CC2CCCC3CC4CC4C23)CC1

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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 Classifier Superclass: Monoterpenoids

NP Classifier Class: Iridoids monoterpenoids

NP-Likeness score: 3.492

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Chemical structure download