Summary
SMILES: OC[C@@H]([C@@H](Cc1cc(OC)c(c(c1)OC)O)CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)Cc1cc(OC)c(c(c1)OC)OInChI: InChI=1S/C27H38O12/c1-34-19-7-14(8-20(35-2)24(19)31)5-16(11-28)17(12-38-27-26(33)23(30)18(29)13-39-27)6-15-9-21(36-3)25(32)22(10-15)37-4/h7-10,16-18,23,26-33H,5-6,11-13H2,1-4H3/t16-,17-,18+,23-,26+,27+/m0/s1InChIKey: UTPBCUCEDIRSFI-MJDPKNRPSA-N
DeepSMILES: OC[C@@H][C@@H]CcccOC))ccc6)OC)))O))))))CO[C@@H]OC[C@H][C@@H][C@H]6O))O))O))))))))CcccOC))ccc6)OC)))O
Scaffold Graph/Node/Bond level: c1ccc(CCC(COC2CCCCO2)Cc2ccccc2)cc1
Scaffold Graph/Node level: C1CCC(CCC(COC2CCCCO2)CC2CCCCC2)CC1
Scaffold Graph level: C1CCC(CCC(CCC2CCCCC2)CC2CCCCC2)CC1
Functional groups: CO; CO[C@@H](C)OC; cO; cOC
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: Dibenzylbutane lignans
Synonymous chemical names:ssioriside
External chemical identifiers:CID:14521030; ZINC:ZINC000238769347; MolPort-039-338-099
Chemical structure download