CID 131753072

B-d-xylopyranosyl-(1->4)-a-l-rhamnopyranosyl-(1->2)-l-arabinose

Structural Information

Molecular Formula
C16H28O13
SMILES
CC1C(C(C(C(O1)OC2C(C(COC2O)O)O)O)O)OC3C(C(C(CO3)O)O)O
InChI
InChI=1S/C16H28O13/c1-4-12(28-15-10(22)7(19)5(17)3-26-15)9(21)11(23)16(27-4)29-13-8(20)6(18)2-25-14(13)24/h4-24H,2-3H2,1H3
InChIKey
YRPDOTZSNIEQMF-UHFFFAOYSA-N
Compound name
3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxyoxane-2,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.15298 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.16026 197.6
[M+Na]+ 451.14220 198.6
[M-H]- 427.14570 198.3
[M+NH4]+ 446.18680 197.8
[M+K]+ 467.11614 201.7
[M+H-H2O]+ 411.15024 189.8
[M+HCOO]- 473.15118 196.5
[M+CH3COO]- 487.16683 218.7
[M+Na-2H]- 449.12765 192.8
[M]+ 428.15243 193.8
[M]- 428.15353 193.8
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.