CID 122706316

O-methyl-4-o-[alpha-l-fucopyranosyl-(1->3)-alpha-l-rhamnopyranosyl-(1->3)-2-o-methyl-alpha-l-rhamnopyranosyl]-hydroxybenzoate

Structural Information

Molecular Formula
C27H40O15
SMILES
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H]([C@@H](O[C@H]([C@@H]3OC)OC4=CC=C(C=C4)C(=O)OC)C)O)C)O)O)O)O
InChI
InChI=1S/C27H40O15/c1-10-15(28)18(31)19(32)25(37-10)41-21-16(29)11(2)38-26(20(21)33)42-22-17(30)12(3)39-27(23(22)35-4)40-14-8-6-13(7-9-14)24(34)36-5/h6-12,15-23,25-33H,1-5H3/t10-,11-,12-,15+,16-,17-,18+,19-,20+,21+,22+,23+,25-,26-,27-/m0/s1
InChIKey
GGHMVZUWLWTKEX-KBWADABYSA-N
Compound name
methyl 4-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-3-methoxy-6-methyloxan-2-yl]oxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

604.2367 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.24398 242.4
[M+Na]+ 627.22592 243.7
[M-H]- 603.22942 237.1
[M+NH4]+ 622.27052 242.5
[M+K]+ 643.19986 239.1
[M+H-H2O]+ 587.23396 234.3
[M+HCOO]- 649.23490 244.3
[M+CH3COO]- 663.25055 260.2
[M+Na-2H]- 625.21137 266.6
[M]+ 604.23615 246.4
[M]- 604.23725 246.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.