CID 44260015

Haploside c

Structural Information

Molecular Formula
C31H36O18
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]2OC3=C(C4=C(C(=C3)O)C(=O)C(=C(O4)C5=CC(=C(C=C5)O)OC)O)OC)COC(=O)C)O)O)O)O)O
InChI
InChI=1S/C31H36O18/c1-10-19(35)22(38)25(41)30(45-10)49-29-23(39)20(36)17(9-44-11(2)32)47-31(29)46-16-8-14(34)18-21(37)24(40)26(48-28(18)27(16)43-4)12-5-6-13(33)15(7-12)42-3/h5-8,10,17,19-20,22-23,25,29-31,33-36,38-41H,9H2,1-4H3/t10-,17+,19-,20+,22+,23-,25+,29+,30-,31+/m0/s1
InChIKey
JGGRFKDDIGORCC-LHYXFQTCSA-N
Compound name
[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4-oxochromen-7-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

696.1902 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 697.19748 253.2
[M+Na]+ 719.17942 256.7
[M-H]- 695.18292 250.5
[M+NH4]+ 714.22402 254.8
[M+K]+ 735.15336 250.5
[M+H-H2O]+ 679.18746 246.6
[M+HCOO]- 741.18840 256.4
[M+CH3COO]- 755.20405 260.1
[M+Na-2H]- 717.16487 277.3
[M]+ 696.18965 263.7
[M]- 696.19075 263.7
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

patents stripe