CID 172429320

Chebi:232507

Structural Information

Molecular Formula
C34H58N2O25
SMILES
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)CO)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)NC(=O)C)O)O)O)O
InChI
InChI=1S/C34H58N2O25/c1-8-17(43)23(49)24(50)32(53-8)61-29-28(20(46)13(6-39)57-34(29)58-26-14(7-40)54-30(52)15(22(26)48)35-9(2)41)60-33-25(51)27(19(45)12(5-38)56-33)59-31-16(36-10(3)42)21(47)18(44)11(4-37)55-31/h8,11-34,37-40,43-52H,4-7H2,1-3H3,(H,35,41)(H,36,42)/t8-,11+,12+,13+,14+,15+,16+,17+,18-,19-,20-,21+,22+,23+,24-,25+,26+,27-,28-,29+,30+,31-,32-,33+,34-/m0/s1
InChIKey
SLOBYONXHZHTSK-CZQMYKHJSA-N
Compound name
N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

894.3329 Da
Monoisotopic Mass

-9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 895.34018 284.5
[M+Na]+ 917.32212 281.4
[M-H]- 893.32562 280.4
[M+NH4]+ 912.36672 284.0
[M+K]+ 933.29606 284.9
[M+H-H2O]+ 877.33016 284.6
[M+HCOO]- 939.33110 284.7
[M+CH3COO]- 953.34675 287.5
[M+Na-2H]- 915.30757 317.4
[M]+ 894.33235 283.2
[M]- 894.33345 283.2
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.