CID 131752186

8-galactopyranosyl-6-glucopyranosyl-4',5-dihydroxy-7-methoxyflavone

Structural Information

Molecular Formula
C28H32O15
SMILES
COC1=C(C(=C2C(=O)C=C(OC2=C1C3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)C4=CC=C(C=C4)O)O)C5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
InChI
InChI=1S/C28H32O15/c1-40-25-16(27-23(38)21(36)18(33)13(7-29)42-27)20(35)15-11(32)6-12(9-2-4-10(31)5-3-9)41-26(15)17(25)28-24(39)22(37)19(34)14(8-30)43-28/h2-6,13-14,18-19,21-24,27-31,33-39H,7-8H2,1H3/t13-,14-,18-,19+,21+,22+,23-,24-,27?,28?/m1/s1
InChIKey
GHHBRJNUNAWXEV-QVCVYZROSA-N
Compound name
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

608.17413 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.181406 235.5
[M+Na]+ 631.163348 239.8
[M-H]- 607.166854 231.1
[M+NH4]+ 626.207953 237.1
[M+K]+ 647.137288 235.9
[M+H-H2O]+ 591.171390 228.7
[M+HCOO]- 653.172331 239.0
[M+CH3COO]- 667.187981 243.1
[M+Na-2H]- 629.148796 259.4
[M]+ 608.17358142 245.6
[M]- 608.17467858 245.6
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.