| Properties | Image |
|---|
| MNX_ID | MNXM1113125 |
 |
| reference | chebi:147228 |
| formula | C125H209N7O90 |
| global charge | 0 |
| mol weight | 3250.006 |
| InChIKey | LHJZIGBUBSBJOD-RNKNUXJRSA-N |
| InChI | InChI=1S/C125H209N7O90/c1-28-61(154)75(168)84(177)113(193-28)189-24-42(153)94(65(158)39(13-133)126-32(5)144)209-109-56(128-34(7)146)73(166)96(47(19-139)201-109)212-121-93(186)105(72(165)53(207-121)26-191-122-106(83(176)69(162)45(17-137)199-122)220-112-60(132-38(11)150)104(218-116-87(180)78(171)64(157)31(4)196-116)99(51(23-143)204-112)214-118-89(182)80(173)68(161)44(16-136)198-118)219-123-107(221-110-57(129-35(8)147)74(167)95(46(18-138)202-110)211-119-90(183)82(175)71(164)54(208-119)27-192-125(124(187)188)12-40(151)55(127-33(6)145)101(222-125)66(159)41(152)14-134)92(185)97(48(20-140)205-123)210-111-59(131-37(10)149)103(217-115-86(179)77(170)63(156)30(3)195-115)100(50(22-142)203-111)215-120-91(184)81(174)70(163)52(206-120)25-190-108-58(130-36(9)148)102(216-114-85(178)76(169)62(155)29(2)194-114)98(49(21-141)200-108)213-117-88(181)79(172)67(160)43(15-135)197-117/h28-31,39-123,133-143,151-186H,12-27H2,1-11H3,(H,126,144)(H,127,145)(H,128,146)(H,129,147)(H,130,148)(H,131,149)(H,132,150)(H,187,188)/t28-,29-,30-,31-,39-,40-,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67-,68-,69+,70-,71-,72+,73+,74+,75+,76+,77+,78+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88+,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+,125+/m0/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O)[C@H](CO)NC(C)=O)[C@H](O)CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O[C@@H]7O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)[C@H]6NC(C)=O)[C@H](O)[C@H](O)[C@H]5O)[C@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C125H209N7O90/c1-28-61(154)75(168)84(177)113(193-28)189-24-42(153)94(65(158)39(13-133)126-32(5)144)209-109-56(128-34(7)146)73(166)96(47(19-139)201-109)212-121-93(186)105(72(165)53(207-121)26-191-122-106(83(176)69(162)45(17-137)199-122)220-112-60(132-38(11)150)104(218-116-87(180)78(171)64(157)31(4)196-116)99(51(23-143)204-112)214-118-89(182)80(173)68(161)44(16-136)198-118)219-123-107(221-110-57(129-35(8)147)74(167)95(46(18-138)202-110)211-119-90(183)82(175)71(164)54(208-119)27-192-125(124(187)188)12-40(151)55(127-33(6)145)101(222-125)66(159)41(152)14-134)92(185)97(48(20-140)205-123)210-111-59(131-37(10)149)103(217-115-86(179)77(170)63(156)30(3)195-115)100(50(22-142)203-111)215-120-91(184)81(174)70(163)52(206-120)25-190-108-58(130-36(9)148)102(216-114-85(178)76(169)62(155)29(2)194-114)98(49(21-141)200-108)213-117-88(181)79(172)67(160)43(15-135)197-117/h28-31,39-123,133-143,151-186H,12-27H2,1-11H3,(H,126,144)(H,127,145)(H,128,146)(H,129,147)(H,130,148)(H,131,149)(H,132,150)(H,187,188)/t28-,29-,30-,31-,39-,40-,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67-,68-,69+,70-,71-,72+,73+,74+,75+,76+,77+,78+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88+,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+,125+/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@H:28]1[C@@H:61]([OH:154])[C@@H:75]([OH:168])[C@H:84]([OH:177])[C@H:113]([O:189][CH2:24][C@H:42]([C@H:94]([C@@H:65]([C@H:39]([CH2:13][OH:133])[N:126]=[C:32]([CH3:5])[OH:144])[OH:158])[O:209][C@H:109]2[C@H:56]([N:128]=[C:34]([CH3:7])[OH:146])[C@@H:73]([OH:166])[C@H:96]([O:212][C@H:121]3[C@@H:93]([OH:186])[C@@H:105]([O:219][C@@H:123]4[C@@H:107]([O:221][C@H:110]5[C@H:57]([N:129]=[C:35]([CH3:8])[OH:147])[C@@H:74]([OH:167])[C@H:95]([O:211][C@H:119]6[C@H:90]([OH:183])[C@@H:82]([OH:175])[C@@H:71]([OH:164])[C@@H:54]([CH2:27][O:192][C@:125]7([C:124](=[O:187])[OH:188])[CH2:12][C@H:40]([OH:151])[C@@H:55]([N:127]=[C:33]([CH3:6])[OH:145])[C@H:101]([C@@H:66]([C@@H:41]([CH2:14][OH:134])[OH:152])[OH:159])[O:222]7)[O:208]6)[C@@H:46]([CH2:18][OH:138])[O:202]5)[C@@H:92]([OH:185])[C@H:97]([O:210][C@H:111]5[C@H:59]([N:131]=[C:37]([CH3:10])[OH:149])[C@@H:103]([O:217][C@H:115]6[C@@H:86]([OH:179])[C@H:77]([OH:170])[C@H:63]([OH:156])[C@H:30]([CH3:3])[O:195]6)[C@H:100]([O:215][C@H:120]6[C@H:91]([OH:184])[C@@H:81]([OH:174])[C@@H:70]([OH:163])[C@@H:52]([CH2:25][O:190][C@H:108]7[C@H:58]([N:130]=[C:36]([CH3:9])[OH:148])[C@@H:102]([O:216][C@H:114]8[C@@H:85]([OH:178])[C@H:76]([OH:169])[C@H:62]([OH:155])[C@H:29]([CH3:2])[O:194]8)[C@H:98]([O:213][C@H:117]8[C@H:88]([OH:181])[C@@H:79]([OH:172])[C@@H:67]([OH:160])[C@@H:43]([CH2:15][OH:135])[O:197]8)[C@@H:49]([CH2:21][OH:141])[O:200]7)[O:206]6)[C@@H:50]([CH2:22][OH:142])[O:203]5)[C@@H:48]([CH2:20][OH:140])[O:205]4)[C@H:72]([OH:165])[C@@H:53]([CH2:26][O:191][C@@H:122]4[C@@H:106]([O:220][C@H:112]5[C@H:60]([N:132]=[C:38]([CH3:11])[OH:150])[C@@H:104]([O:218][C@H:116]6[C@@H:87]([OH:180])[C@H:78]([OH:171])[C@H:64]([OH:157])[C@H:31]([CH3:4])[O:196]6)[C@H:99]([O:214][C@H:118]6[C@H:89]([OH:182])[C@@H:80]([OH:173])[C@@H:68]([OH:161])[C@@H:44]([CH2:16][OH:136])[O:198]6)[C@@H:51]([CH2:23][OH:143])[O:204]5)[C@@H:83]([OH:176])[C@H:69]([OH:162])[C@@H:45]([CH2:17][OH:137])[O:199]4)[O:207]3)[C@@H:47]([CH2:19][OH:139])[O:201]2)[OH:153])[O:193]1 |
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