ajugose
Chemical Formula:
C36H62O31
Molecular Weight:
990.867 Daltons
Monoisotopic Mass:
990.3275052752999 Daltons
SMILES:
C(O)C1(C(O)C(O)C(O)C(O1)OCC2(C(O)C(O)C(O)C(O2)OCC3(C(O)C(O)C(O)C(O3)OCC6(C(O)C(O)C(O)C(OCC5(C(O)C(O)C(O)C(OC4(CO)(C(O)C(O)C(CO)O4))O5))O6))))
InChI:
1S/C36H62O31/c37-1-8-14(40)20(46)25(51)31(61-8)57-3-10-15(41)21(47)26(52)32(62-10)58-4-11-16(42)22(48)27(53)33(63-11)59-5-12-17(43)23(49)28(54)34(64-12)60-6-13-18(44)24(50)29(55)35(65-13)67-36(7-39)30(56)19(45)9(2-38)66-36/h8-35,37-56H,1-7H2/t8-,9-,10-,11-,12-,13-,14+,15+,16+,17+,18-,19-,20+,21+,22+,23+,24+,25-,26-,27-,28-,29-,30+,31+,32+,33+,34+,35-,36+/m1/s1
InChIKey:
Synonyms
- α-D-Galp-(1->6)-α-D-Galp-(1->6)-α-D-Galp-(1-6)-α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf
Databases
MetaCyc:
CPD-8066
ChEBI:
28554
ChemSpider:
390155
PubChem (CID):
441421
KEGG:
C08238
Seed:
cpd05156
MetaNetX:
MNXM10611