gypsogenate-28-beta-D-glucoside

Chemical Formula:

C₃₆H₅₅O₁₀

Molecular Weight:

647.824 Daltons

Monoisotopic Mass:

648.3873480186 Daltons

SMILES:

CC5(CCC4(CCC1(C(=CCC2(C1(CCC3(C2(CCC(C3(C)C(=O)[O-])O)C))C))C4C5)C)C(=O)OC6(C(C(C(C(CO)O6)O)O)O))C

InChI:

1S/C36H56O10/c1-31(2)13-15-36(30(44)46-28-27(41)26(40)25(39)21(18-37)45-28)16-14-33(4)19(20(36)17-31)7-8-22-32(3)11-10-24(38)35(6,29(42)43)23(32)9-12-34(22,33)5/h7,20-28,37-41H,8-18H2,1-6H3,(H,42,43)/p-1/t20?,21?,22?,23?,24-,25+,26-,27-,28?,32+,33+,34+,35-,36-/m0/s1

InChIKey:

OKQLTVHTONLCTA-DLFRIZOCSA-M

Synonyms

gypsogenic acid-28-beta-D-glucoside

Databases

MetaCyc: CPD-9475

PubChem (CID): 25244752

Seed: cpd25697

MetaNetX: MNXM18294