soyasapogenol-E-3-O-β-D-glucoside

Chemical Formula:

C₃₆H₅₈O₈

Molecular Weight:

618.849 Daltons

Monoisotopic Mass:

618.4131688386 Daltons

SMILES:

CC4(C)(C[CH]3(C2(=CC[CH]1(C6(C)([CH](CCC(C)1C(C)2CCC(C)3C(=O)C4)C(CO)(C)C(OC5(C(C(C(C(O5)CO)O)O)O))CC6)))))

InChI:

1S/C36H58O8/c1-31(2)16-21-20-8-9-24-33(4)12-11-26(44-30-29(42)28(41)27(40)22(18-37)43-30)34(5,19-38)23(33)10-13-36(24,7)35(20,6)15-14-32(21,3)25(39)17-31/h8,21-24,26-30,37-38,40-42H,9-19H2,1-7H3/t21-,22+,23+,24+,26-,27+,28-,29+,30-,32+,33-,34+,35+,36+/m0/s1

InChIKey:

ALXGAHXXVSWGDV-BYXXEIBDSA-N

Synonyms

soyasapogenol-E-3-O-B-glucoside
3-Glc-soyasapogenol E

Databases

MetaCyc: CPD-9492

PubChem (CID): 25202206 134820414

Seed: cpd25709

MetaNetX: MNXM82517