| Properties | Image |
|---|
| MNX_ID | MNXM1059978 |
 |
| reference | slm:000752566 |
| formula | C69H129NO29 |
| global charge | 0 |
| mol weight | 1436.769 |
| InChIKey | LVUDPKBEMXDHSY-JCPIDPAUSA-N |
| InChI | InChI=1S/C69H129NO29/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-48(77)70-41(49(78)42(76)33-31-29-27-25-23-16-14-12-10-8-6-4-2)40-90-65-57(86)54(83)61(46(38-74)94-65)96-67-58(87)55(84)62(47(39-75)95-67)97-68-59(88)64(52(81)44(36-72)92-68)99-69-60(89)63(51(80)45(37-73)93-69)98-66-56(85)53(82)50(79)43(35-71)91-66/h41-47,49-69,71-76,78-89H,3-40H2,1-2H3,(H,70,77)/t41-,42+,43+,44+,45+,46+,47+,49-,50-,51-,52-,53-,54+,55+,56+,57+,58+,59+,60+,61+,62-,63-,64-,65+,66+,67-,68+,69+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCC(=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]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]5O)[C@H]4O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H129NO29/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-48(77)70-41(49(78)42(76)33-31-29-27-25-23-16-14-12-10-8-6-4-2)40-90-65-57(86)54(83)61(46(38-74)94-65)96-67-58(87)55(84)62(47(39-75)95-67)97-68-59(88)64(52(81)44(36-72)92-68)99-69-60(89)63(51(80)45(37-73)93-69)98-66-56(85)53(82)50(79)43(35-71)91-66/h41-47,49-69,71-76,78-89H,3-40H2,1-2H3,(H,70,77)/t41-,42+,43+,44+,45+,46+,47+,49-,50-,51-,52-,53-,54+,55+,56+,57+,58+,59+,60+,61+,62-,63-,64-,65+,66+,67-,68+,69+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:48](=[N:70][C@@H:41]([CH2:40][O:90][C@H:65]1[C@H:57]([OH:86])[C@@H:54]([OH:83])[C@H:61]([O:96][C@H:67]2[C@H:58]([OH:87])[C@@H:55]([OH:84])[C@@H:62]([O:97][C@@H:68]3[C@H:59]([OH:88])[C@@H:64]([O:99][C@@H:69]4[C@H:60]([OH:89])[C@@H:63]([O:98][C@@H:66]5[C@H:56]([OH:85])[C@@H:53]([OH:82])[C@@H:50]([OH:79])[C@@H:43]([CH2:35][OH:71])[O:91]5)[C@@H:51]([OH:80])[C@@H:45]([CH2:37][OH:73])[O:93]4)[C@@H:52]([OH:81])[C@@H:44]([CH2:36][OH:72])[O:92]3)[C@@H:47]([CH2:39][OH:75])[O:95]2)[C@@H:46]([CH2:38][OH:74])[O:94]1)[C@@H:49]([C@@H:42]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:76])[OH:78])[OH:77] |
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