3-GlcA, 28-Ara-Rha-Xyl medicagenic acid

Molecular Formula: C₅₂H₈₃NO₂₂

InChI: InChI=1/C52H83NO22/c1-21-38(72-42-36(63)31(58)25(56)19-68-42)35(62)37(64)43(70-21)73-39-32(59)26(57)20-69-44(39)75-46(67)52-14-12-47(2,3)16-23(52)22-8-9-28-48(4)17-24(55)40(74-41-30(53)34(61)33(60)27(18-54)71-41)51(7,45(65)66)29(48)10-11-50(28,6)49(22,5)13-15-52/h8,21,23-44,54-64H,9-20,53H2,1-7H3,(H,65,66)/f/h65H

InChIKey: InChIKey=RCKIBKSEWLGMBT-CUZRLNRECZ
SMILES: CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)C)(CCC7C6(CC(C(C7(C)C(=O)O)OC8C(C(C(C(O8)CO)O)O)N)O)C)C)(C)C)O)O)O)O)OC9C(C(C(CO9)O)O)O

Names:
    AIDS-138549
    AIDS138549
    NSC645589
    3-GlcA, 28-Ara-Rha-Xyl medicagenic acid
    3-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8a-[3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxy-oxan-2-yl]oxy-4,5-dihydroxy-oxan-2-yl]oxycarbonyl-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid

Registries:
    PubChem CID 495193
    PubChem ID 234498