Summary
SMILES: OCC1OC(Oc2cc3OCOc3cc2C2OCC3C2COC3c2ccc3c(c2)OCO3)C(C(C1O)O)OInChI: InChI=1S/C26H28O12/c27-6-20-21(28)22(29)23(30)26(38-20)37-16-5-19-18(35-10-36-19)4-12(16)25-14-8-31-24(13(14)7-32-25)11-1-2-15-17(3-11)34-9-33-15/h1-5,13-14,20-30H,6-10H2InChIKey: HVDZWQPYIXKSCL-UHFFFAOYSA-N
DeepSMILES: OCCOCOcccOCOc5cc9COCCC5COC5cccccc6)OCO5))))))))))))))))))))))))))CCC6O))O))O
Scaffold Graph/Node/Bond level: c1cc2c(cc1C1OCC3C(c4cc5c(cc4OC4CCCCO4)OCO5)OCC13)OCO2
Scaffold Graph/Node level: C1CCC(OC2CC3OCOC3CC2C2OCC3C2COC3C2CCC3OCOC3C2)OC1
Scaffold Graph level: C1CCC(CC2CC3CCCC3CC2C2CCC3C(C4CCC5CCCC5C4)CCC32)CC1
Functional groups: CO; COC; c1cOCO1; cOC(C)OC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lignans, neolignans and related compoundsClassyFire Class: Lignan glycosides
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Lignans
NP Classifier Class: Furofuranoid lignans
Synonymous chemical names:sesaminol glucosides
External chemical identifiers:CID:72577875
Chemical structure download