CID 45479272

(araf)3(galf)30-rha-glcnac-p-p-c50

Structural Information

Molecular Formula
C259H429NO178P2
SMILES
C/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/COP(=O)(O)OP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O[C@H]3[C@@H]([C@H](C(O3)[C@@H](CO)O[C@H]4[C@@H]([C@H](C(O4)[C@@H](CO[C@H]5[C@@H]([C@H](C(O5)[C@@H](CO)O[C@H]6[C@@H]([C@H](C(O6)[C@@H](CO[C@H]7[C@@H]([C@H](C(O7)[C@@H](CO)O[C@H]8[C@@H]([C@H](C(O8)[C@@H](CO[C@H]9[C@@H]([C@H](C(O9)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)OC1=C([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)OC1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)OC1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)OC1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)NC(=O)C
InChI
InChI=1S/C259H429NO178P2/c1-14-77(2)24-15-25-78(3)26-16-27-79(4)28-17-29-80(5)30-18-31-81(6)32-19-33-82(7)34-20-35-83(8)36-21-37-84(9)38-22-39-85(10)40-23-41-86(11)62-381-439(363,364)438-440(365,366)437-225-123(260-88(13)281)127(297)206(104(46-265)386-225)432-240-176(346)128(298)193(87(12)382-240)405-259-192(362)155(325)221(433-259)119(61-280)398-255-188(358)140(310)205(417-255)100(293)73-377-236-172(342)151(321)217(428-236)116(58-277)399-256-189(359)156(326)222(434-256)121(403-242-160(330)125(295)102(44-263)384-242)75-379-238-174(344)153(323)219(430-238)118(60-279)401-258-191(361)158(328)224(436-258)122(404-243-161(331)126(296)103(45-264)385-243)76-380-239-175(345)154(324)220(431-239)117(59-278)400-257-190(360)157(327)223(435-257)120(402-241-159(329)124(294)101(43-262)383-241)74-378-237-173(343)152(322)218(429-237)115(57-276)397-254-187(357)139(309)204(416-254)99(292)72-376-235-171(341)150(320)216(427-235)114(56-275)396-253-186(356)138(308)203(415-253)98(291)71-375-234-170(340)149(319)215(426-234)113(55-274)395-252-185(355)137(307)202(414-252)97(290)70-374-233-169(339)148(318)214(425-233)112(54-273)394-251-184(354)136(306)201(413-251)96(289)69-373-232-168(338)147(317)213(424-232)111(53-272)393-250-183(353)135(305)200(412-250)95(288)68-372-231-167(337)146(316)212(423-231)110(52-271)392-249-182(352)134(304)199(411-249)94(287)67-371-230-166(336)145(315)211(422-230)109(51-270)391-248-181(351)133(303)198(410-248)93(286)66-370-229-165(335)144(314)210(421-229)108(50-269)390-247-180(350)132(302)197(409-247)92(285)65-369-228-164(334)143(313)209(420-228)107(49-268)389-246-179(349)131(301)196(408-246)91(284)64-368-227-163(333)142(312)208(419-227)106(48-267)388-245-178(348)130(300)195(407-245)90(283)63-367-226-162(332)141(311)207(418-226)105(47-266)387-244-177(347)129(299)194(406-244)89(282)42-261/h14,25,27,29,31,33,35,37,39,41,87,89-185,187-252,254-259,261-280,282-362H,15-24,26,28,30,32,34,36,38,40,42-76H2,1-13H3,(H,260,281)(H,363,364)(H,365,366)/b77-14-,78-25-,79-27-,80-29-,81-31-,82-33-,83-35-,84-37-,85-39+,86-41+/t87-,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128-,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+,141+,142+,143+,144+,145+,146+,147+,148+,149+,150+,151+,152+,153+,154+,155+,156+,157+,158+,159-,160-,161-,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,177+,178+,179+,180+,181+,182+,183+,184+,185+,187+,188+,189+,190+,191+,192+,193-,194?,195?,196?,197?,198?,199?,200?,201?,202?,203?,204?,205?,206+,207?,208?,209?,210?,211?,212?,213?,214?,215?,216?,217?,218?,219?,220?,221?,222?,223?,224?,225-,226+,227+,228+,229+,230+,231+,232+,233+,234+,235+,236+,237+,238+,239+,240-,241?,242?,243?,244+,245+,246+,247+,248+,249+,250+,251+,252+,254+,255+,256+,257+,258+,259+/m0/s1
InChIKey
CORNZXNIJCUBPK-UAPMYHOKSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

6463.4023 Da
Monoisotopic Mass

-47.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 6464.4096 324.6
[M+Na]+ 6486.3915 324.6
[M+NH4]+ 6481.4361 324.6
[M+K]+ 6502.3655 324.6
[M-H]- 6462.3950 324.6
[M+Na-2H]- 6484.3770 324.6
[M]+ 6463.4018 324.6
[M]- 6463.4028 324.6
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.