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

Molecular Formula: C58H92O28


InChI: InChI=1/C58H92O28/c1-22-43(83-47-39(70)32(63)26(61)19-77-47)38(69)42(73)48(80-22)84-44-33(64)27(62)20-78-50(44)86-52(76)58-14-12-53(2,3)16-24(58)23-8-9-30-54(4)17-25(60)45(57(7,51(74)75)31(54)10-11-56(30,6)55(23,5)13-15-58)85-49-41(72)37(68)35(66)29(82-49)21-79-46-40(71)36(67)34(65)28(18-59)81-46/h8,22,24-50,59-73H,9-21H2,1-7H3,(H,74,75)/f/h74H

InChIKey: InChIKey=DCYZCKREPYMGOG-SBAZTUCQCA
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)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)O)C)C)(C)C)O)O)O)O)OC1C(C(C(CO1)O)O)O

Names:
    AIDS-138550
    AIDS138550
    NSC645590
    3-Glc-Glc, 28-Ara-Rha-Xyl medicagenic acid
    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-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid

Registries:
    PubChem CID 495194
    PubChem ID 234499