Summary
SMILES: OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)O[C@H]1O[C@H](CO[C@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H]([C@@H]([C@H]4O)O)O)[C@@H]([C@@H]([C@H]3O)O)O)[C@@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)OInChI: InChI=1S/C30H52O26/c31-1-7-12(34)17(39)21(43)26(51-7)48-3-9-13(35)18(40)22(44)27(52-9)49-4-10-14(36)19(41)23(45)28(53-10)50-5-11-15(37)20(42)24(46)29(54-11)56-30(6-33)25(47)16(38)8(2-32)55-30/h7-29,31-47H,1-6H2/t7-,8-,9-,10-,11-,12+,13+,14+,15-,16-,17+,18+,19+,20+,21-,22-,23-,24-,25+,26+,27+,28+,29-,30+/m1/s1InChIKey: FLUADVWHMHPUCG-SWPIJASHSA-N
DeepSMILES: OC[C@H]O[C@@][C@H][C@@H]5O))O))CO))O[C@H]O[C@H]CO[C@H]O[C@H]CO[C@H]O[C@H]CO[C@H]O[C@H]CO))[C@@H][C@@H][C@H]6O))O))O)))))))[C@@H][C@@H][C@H]6O))O))O)))))))[C@@H][C@@H][C@H]6O))O))O)))))))[C@H][C@@H][C@H]6O))O))O
Scaffold Graph/Node/Bond level: C1CCC(OCC2CCCC(OCC3CCCC(OCC4CCCC(OC5CCCO5)O4)O3)O2)OC1
Scaffold Graph/Node level: C1CCC(OCC2CCCC(OCC3CCCC(OCC4CCCC(OC5CCCO5)O4)O3)O2)OC1
Scaffold Graph level: C1CCC(CCC2CCCC(CCC3CCCC(CCC4CCCC(CC5CCCC5)C4)C3)C2)CC1
Functional groups: CO; CO[C@H](C)OC; C[C@](C)(OC)O[C@H](C)OC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organic oxygen compoundsClassyFire Class: Organooxygen compounds
ClassyFire Subclass: Carbohydrates and carbohydrate conjugates
NP Classifier Biosynthetic pathway: Carbohydrates
NP Classifier Superclass: Saccharides
NP Classifier Class: Polysaccharides
Synonymous chemical names:verbascose
External chemical identifiers:CID:441434; ChEBI:28586; ZINC:ZINC000255209453; FDASRS:75493766S3; SureChEMBL:SCHEMBL38437
Chemical structure download
