| Properties | Image |
|---|
| MNX_ID | MNXM1063730 |
 |
| reference | slm:000756378 |
| formula | C72H131N3O29 |
| global charge | 0 |
| mol weight | 1502.832 |
| InChIKey | YZLZCPRVIJDGMM-YEKUUVMRSA-N |
| InChI | InChI=1S/C72H131N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-51(84)75-44(54(85)45(83)34-32-30-28-26-24-18-16-14-12-10-8-6-2)41-95-70-61(92)60(91)64(50(40-80)100-70)101-71-63(94)67(58(89)49(39-79)98-71)104-72-62(93)66(57(88)48(38-78)99-72)103-69-53(74-43(4)82)65(56(87)47(37-77)97-69)102-68-52(73-42(3)81)59(90)55(86)46(36-76)96-68/h19-20,44-50,52-72,76-80,83,85-94H,5-18,21-41H2,1-4H3,(H,73,81)(H,74,82)(H,75,84)/b20-19-/t44-,45+,46+,47+,48+,49+,50+,52+,53+,54-,55-,56-,57-,58-,59+,60+,61+,62+,63+,64+,65+,66-,67-,68+,69-,70+,71-,72+/m0/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4NC(C)=O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C72H131N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-51(84)75-44(54(85)45(83)34-32-30-28-26-24-18-16-14-12-10-8-6-2)41-95-70-61(92)60(91)64(50(40-80)100-70)101-71-63(94)67(58(89)49(39-79)98-71)104-72-62(93)66(57(88)48(38-78)99-72)103-69-53(74-43(4)82)65(56(87)47(37-77)97-69)102-68-52(73-42(3)81)59(90)55(86)46(36-76)96-68/h19-20,44-50,52-72,76-80,83,85-94H,5-18,21-41H2,1-4H3,(H,73,81)(H,74,82)(H,75,84)/b20-19-/t44-,45+,46+,47+,48+,49+,50+,52+,53+,54-,55-,56-,57-,58-,59+,60+,61+,62+,63+,64+,65+,66-,67-,68+,69-,70+,71-,72+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:51](=[N:75][C@@H:44]([CH2:41][O:95][C@H:70]1[C@H:61]([OH:92])[C@@H:60]([OH:91])[C@H:64]([O:101][C@H:71]2[C@H:63]([OH:94])[C@@H:67]([O:104][C@@H:72]3[C@H:62]([OH:93])[C@@H:66]([O:103][C@H:69]4[C@H:53]([N:74]=[C:43]([CH3:4])[OH:82])[C@@H:65]([O:102][C@@H:68]5[C@H:52]([N:73]=[C:42]([CH3:3])[OH:81])[C@@H:59]([OH:90])[C@@H:55]([OH:86])[C@@H:46]([CH2:36][OH:76])[O:96]5)[C@@H:56]([OH:87])[C@@H:47]([CH2:37][OH:77])[O:97]4)[C@@H:57]([OH:88])[C@@H:48]([CH2:38][OH:78])[O:99]3)[C@@H:58]([OH:89])[C@@H:49]([CH2:39][OH:79])[O:98]2)[C@@H:50]([CH2:40][OH:80])[O:100]1)[C@@H:54]([C@@H:45]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:83])[OH:85])[OH:84] |
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