CID 172640786

Dtxsid101365703

Structural Information

Molecular Formula
C30H49NO22
SMILES
CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)OC(=O)C)O)O)NC(=O)C)CO)O)O)OC(=O)C)O)O
InChI
InChI=1S/C30H49NO22/c1-8-16(38)18(40)26(47-11(4)37)30(45-8)53-25-21(43)27(44)48-14(7-34)23(25)51-28-15(31-9(2)35)24(17(39)12(5-32)49-28)52-29-20(42)19(41)22(46-10(3)36)13(6-33)50-29/h8,12-30,32-34,38-44H,5-7H2,1-4H3,(H,31,35)
InChIKey
IUXIXKLUEOXJRG-UHFFFAOYSA-N
Compound name
[6-[3-acetamido-2-[4-(3-acetyloxy-4,5-dihydroxy-6-methyloxan-2-yl)oxy-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

775.2746 Da
Monoisotopic Mass

-6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 776.281876 265.9
[M+Na]+ 798.263818 262.5
[M-H]- 774.267324 261.6
[M+NH4]+ 793.308423 265.0
[M+K]+ 814.237758 262.7
[M+H-H2O]+ 758.271860 262.0
[M+HCOO]- 820.272801 266.3
[M+CH3COO]- 834.288451 269.6
[M+Na-2H]- 796.249266 294.9
[M]+ 775.27405142 266.0
[M]- 775.27514858 266.0
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.