Summary

IMPPAT Phytochemical identifier: IMPHY013149

Phytochemical name: Hypoletin 8-gentiobioside

Synonymous chemical names:
hypoletin-8-gentiobioside

External chemical identifiers:
CID:13988633

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Chemical structure information

SMILES:
OCC1OC(OCC2OC(Oc3c(O)cc(c4c3oc(cc4=O)c3ccc(c(c3)O)O)O)C(C(C2O)O)O)C(C(C1O)O)O

InChI:
InChI=1S/C27H30O17/c28-6-15-18(34)20(36)22(38)26(42-15)40-7-16-19(35)21(37)23(39)27(43-16)44-24-13(33)4-11(31)17-12(32)5-14(41-25(17)24)8-1-2-9(29)10(30)3-8/h1-5,15-16,18-23,26-31,33-39H,6-7H2

InChIKey:
AQHGCHUVXUMKOP-UHFFFAOYSA-N

DeepSMILES:
OCCOCOCCOCOccO)cccc6occc6=O)))cccccc6)O))O)))))))))O))))))CCC6O))O))O)))))))CCC6O))O))O

Functional groups:
CO, COC(C)OC, c=O, cO, cOC(C)OC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2c(OC3CCCC(COC4CCCCO4)O3)cccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2C(OC3CCCC(COC4CCCCO4)O3)CCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2C(CC3CCCC(CCC4CCCCC4)C3)CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavonoid glycosides

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 1.784

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Chemical structure download