CID 102157774

6-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxychromen-4-one

Structural Information

Molecular Formula
C30H36O15
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=C(C=C4C(=C3O)C(=O)C=C(O4)C5=CC(=C(C=C5)OC)OC)OC)CO)O)O)O)O)O
InChI
InChI=1S/C30H36O15/c1-11-22(33)25(36)27(38)30(42-11)45-29-26(37)23(34)19(10-31)44-28(29)21-17(41-4)9-18-20(24(21)35)13(32)8-15(43-18)12-5-6-14(39-2)16(7-12)40-3/h5-9,11,19,22-23,25-31,33-38H,10H2,1-4H3/t11-,19+,22-,23+,25+,26-,27+,28-,29+,30-/m0/s1
InChIKey
SHCSQYSECQXBOS-FJNPZPDOSA-N
Compound name
6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

636.20544 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 637.21272 245.3
[M+Na]+ 659.19466 249.7
[M-H]- 635.19816 241.5
[M+NH4]+ 654.23926 246.9
[M+K]+ 675.16860 243.6
[M+H-H2O]+ 619.20270 238.2
[M+HCOO]- 681.20364 248.7
[M+CH3COO]- 695.21929 252.5
[M+Na-2H]- 657.18011 268.9
[M]+ 636.20489 255.7
[M]- 636.20599 255.7
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.