Summary

IMPPAT Phytochemical identifier: IMPHY015980

Phytochemical name: Tuliposide B

Synonymous chemical names:
tuliposide b

External chemical identifiers:
CID:441643, ChEBI:9778

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](OC(=O)C(=C)C(CO)O)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C11H18O9/c1-4(5(14)2-12)10(18)20-11-9(17)8(16)7(15)6(3-13)19-11/h5-9,11-17H,1-3H2/t5?,6-,7-,8+,9-,11+/m1/s1

InChIKey:
KVRQQFBSAHPTAB-FUYPYFFWSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOCC1

Scaffold Graph/Node level:
C1CCOCC1

Scaffold Graph level:
C1CCCCC1

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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: Fatty acids

NP Classifier Superclass: Fatty acyl glycosides

NP Classifier Class: Fatty acyl glycosides of mono- and disaccharides

NP-Likeness score: 2.595

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Chemical structure download