Summary

IMPPAT Phytochemical identifier: IMPHY001630

Phytochemical name: Alboside B

Synonymous chemical names:
alboside b

External chemical identifiers:
CID:15726446

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](OC2OC=C(C3C2C(C)(O)OCC3)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C17H26O11/c1-17(23)10-7(3-4-26-17)8(14(22)24-2)6-25-15(10)28-16-13(21)12(20)11(19)9(5-18)27-16/h6-7,9-13,15-16,18-21,23H,3-5H2,1-2H3/t7?,9-,10?,11-,12+,13-,15?,16+,17?/m1/s1

InChIKey:
WHAPPFLYHSDHAN-UDGLQPROSA-N

DeepSMILES:
OC[C@H]O[C@@H]OCOC=CCC6CC)O)OCC6))))))C=O)OC))))))))[C@@H][C@H][C@@H]6O))O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCOCC2C(OC2CCCCO2)O1

Scaffold Graph/Node level:
C1CCC(OC2OCCC3CCOCC32)OC1

Scaffold Graph level:
C1CCC(CC2CCCC3CCCCC32)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: 2.484

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Chemical structure download