CID 131751785

Fevicordin b 2-[rhamnosyl-(1->4)-glucosyl-(1->6)-glucoside]

Structural Information

Molecular Formula
C49H74O22
SMILES
CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC4=C(C(=C5CCC6C7(CC(C(C7(CC(=O)C6(C5=C4)C)C)C(C)(C(=O)CCC(C)(C)OC(=O)C)O)O)C)C)O)O)O)O)CO)O)O)O
InChI
InChI=1S/C49H74O22/c1-19-22-10-11-28-46(6)15-24(52)41(49(9,64)29(53)12-13-45(4,5)71-21(3)51)47(46,7)16-30(54)48(28,8)23(22)14-25(31(19)55)67-44-38(62)35(59)33(57)27(69-44)18-65-42-39(63)36(60)40(26(17-50)68-42)70-43-37(61)34(58)32(56)20(2)66-43/h14,20,24,26-28,32-44,50,52,55-64H,10-13,15-18H2,1-9H3
InChIKey
MTLIDTCASADKNT-UHFFFAOYSA-N
Compound name
[6-[2-[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,16-dihydroxy-4,9,13,14-tetramethyl-11-oxo-7,8,12,15,16,17-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxoheptan-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1014.46716 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1015.4744 296.2
[M+Na]+ 1037.4564 295.5
[M+NH4]+ 1032.5010 296.4
[M+K]+ 1053.4303 302.1
[M-H]- 1013.4599 291.1
[M+Na-2H]- 1035.4418 314.3
[M]+ 1014.4666 295.2
[M]- 1014.4677 295.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.