CID 157010303

5-hydroxy-2-(4-methoxyphenyl)-3-[(2s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(4s,5r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one

Structural Information

Molecular Formula
C28H32O15
SMILES
CC1[C@@H]([C@@H](C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4C(C(C(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-UASODQQVSA-N
Compound name
5-hydroxy-2-(4-methoxyphenyl)-3-[(2S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

608.17413 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.18141 236.7
[M+Na]+ 631.16335 237.3
[M+NH4]+ 626.20795 236.5
[M+K]+ 647.13729 242.9
[M-H]- 607.16685 230.1
[M+Na-2H]- 629.14880 255.5
[M]+ 608.17358 234.6
[M]- 608.17468 234.6
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.