sennoside A

CAS: 81-27-6

Formula: C42H38O20

SMILES: OC[C@H]1O[C@@H](OC2=CC=CC3=C2C(=O)C2=C(C=C(C=C2O)C(O)=O)[C@@H]3[C@@H]2C3=C(C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC=C3)C(=O)C3=C2C=C(C=C3O)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O

IUPAC: (9R,9'R)-4,4'-dihydroxy-10,10'-dioxo-5,5'-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-9H,9'H,10H,10'H-[9,9'-bianthracene]-2,2'-dicarboxylic acid

InChI: InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-5

Composition: C (58.47%), H (4.44%), O (37.09%)

Molar Mass: 862.746

Atom Count: 100

Heavy Atom Count: 62