CID 21722009

Tricetin-6,8-di-c-glucoside

Structural Information

Molecular Formula
C27H30O17
SMILES
C1=C(C=C(C(=C1O)O)O)C2=CC(=O)C3=C(C(=C(C(=C3O2)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
InChI
InChI=1S/C27H30O17/c28-4-11-17(34)21(38)23(40)26(43-11)14-19(36)13-7(30)3-10(6-1-8(31)16(33)9(32)2-6)42-25(13)15(20(14)37)27-24(41)22(39)18(35)12(5-29)44-27/h1-3,11-12,17-18,21-24,26-29,31-41H,4-5H2/t11-,12-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1
InChIKey
PXVFRGXSJXBVDN-BOLWDHOCSA-N
Compound name
5,7-dihydroxy-6,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(3,4,5-trihydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

626.1483 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 627.15558 233.7
[M+Na]+ 649.13752 237.9
[M-H]- 625.14102 229.5
[M+NH4]+ 644.18212 235.4
[M+K]+ 665.11146 235.1
[M+H-H2O]+ 609.14556 228.4
[M+HCOO]- 671.14650 237.3
[M+CH3COO]- 685.16215 241.4
[M+Na-2H]- 647.12297 258.4
[M]+ 626.14775 242.8
[M]- 626.14885 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

literature stripe

Patent stripe

No patent data available for this compound.