CID 157009806

Isosakuranetin 7-alpha-l-arabinofuranosyl-(1->6)-glucoside

Structural Information

Molecular Formula
C27H32O14
SMILES
COC1=CC=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H](O5)CO)O)O)O)O)O)O
InChI
InChI=1S/C27H32O14/c1-36-12-4-2-11(3-5-12)16-8-15(30)20-14(29)6-13(7-17(20)39-16)38-27-25(35)23(33)22(32)19(41-27)10-37-26-24(34)21(31)18(9-28)40-26/h2-7,16,18-19,21-29,31-35H,8-10H2,1H3/t16?,18-,19+,21-,22+,23-,24+,25+,26+,27+/m0/s1
InChIKey
DVGAUVZPQOOYFU-BLFWKTEASA-N
Compound name
7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

580.1792 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.186476 237.2
[M+Na]+ 603.168418 240.2
[M-H]- 579.171924 232.9
[M+NH4]+ 598.213023 238.2
[M+K]+ 619.142358 240.6
[M+H-H2O]+ 563.176460 228.6
[M+HCOO]- 625.177401 240.1
[M+CH3COO]- 639.193051 250.9
[M+Na-2H]- 601.153866 255.8
[M]+ 580.17865142 242.8
[M]- 580.17974858 242.8
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.