CID 44259085

Kaempferide 3-glucoside-7-rhamnoside

Structural Information

Molecular Formula
C28H32O15
SMILES
CC1[C@@H]([C@@H](C([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4C(C([C@@H](C(O4)CO)O)O)O)C5=CC=C(C=C5)OC)O)O)O)O
InChI
InChI=1S/C28H32O15/c1-10-18(31)21(34)23(36)27(39-10)40-13-7-14(30)17-15(8-13)41-25(11-3-5-12(38-2)6-4-11)26(20(17)33)43-28-24(37)22(35)19(32)16(9-29)42-28/h3-8,10,16,18-19,21-24,27-32,34-37H,9H2,1-2H3/t10?,16?,18-,19+,21-,22?,23?,24?,27-,28-/m0/s1
InChIKey
OFKKUHQXUNAUKP-SBWFBVOTSA-N
Compound name
5-hydroxy-2-(4-methoxyphenyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

608.17413 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.181406 238.7
[M+Na]+ 631.163348 242.6
[M-H]- 607.166854 234.3
[M+NH4]+ 626.207953 240.1
[M+K]+ 647.137288 238.0
[M+H-H2O]+ 591.171390 231.2
[M+HCOO]- 653.172331 242.0
[M+CH3COO]- 667.187981 246.0
[M+Na-2H]- 629.148796 261.7
[M]+ 608.17358142 248.3
[M]- 608.17467858 248.3
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.