medicagenate-28-O-β-D-glucoside

Chemical Formula:

C₃₆H₅₄O₁₁

Molecular Weight:

662.816 Daltons

Monoisotopic Mass:

664.3822626407 Daltons

SMILES:

CC5(CCC6(CCC3(C)(C(=CC[CH]2(C4(C)(CC(C(OC1(OC(C(O)C(O)C(O)1)CO))C(C([O-])=O)(C)[CH](CCC(C)23)4)O)))[CH](C5)6))(C(=O)[O-]))(C)

InChI:

1S/C36H56O11/c1-31(2)11-13-36(30(44)45)14-12-33(4)18(19(36)15-31)7-8-22-32(3)16-20(38)27(35(6,29(42)43)23(32)9-10-34(22,33)5)47-28-26(41)25(40)24(39)21(17-37)46-28/h7,19-28,37-41H,8-17H2,1-6H3,(H,42,43)(H,44,45)/p-2/t19-,20-,21+,22+,23+,24+,25-,26+,27-,28-,32+,33+,34+,35-,36-/m0/s1

InChIKey:

XCHARIIIZLLEBL-HXZZEOLJSA-L

Synonyms

medicagenic acid-28-O-beta-glucoside
medicagenate-28-O-B-glucoside
28-Glc-medicagenic acid

Databases

MetaCyc: CPD-9487

PubChem (CID): 25203598 134820220

Seed: cpd25704

MetaNetX: MNXM61275