| Properties | Image |
|---|
| MNX_ID | MNXM106258 |
 |
| reference | chebi:66584 |
| formula | C73H133N3O31 |
| global charge | 0 |
| mol weight | 1548.857 |
| InChIKey | VQCKUDCARURQKW-MIIMSBBISA-N |
| InChI | InChI=1S/C73H133N3O31/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-47(84)67(95)76-45(56(88)46(83)34-32-30-28-26-24-16-14-12-10-8-6-2)42-100-68-61(93)60(92)63(53(41-80)102-68)103-69-62(94)66(58(90)51(39-78)101-69)107-73(71(98)99)37-49(86)55(75-44(4)82)65(106-73)59(91)52(40-79)104-72(70(96)97)36-48(85)54(74-43(3)81)64(105-72)57(89)50(87)38-77/h45-66,68-69,77-80,83-94H,5-42H2,1-4H3,(H,74,81)(H,75,82)(H,76,95)(H,96,97)(H,98,99)/t45-,46+,47+,48-,49-,50+,51+,52+,53+,54+,55+,56-,57+,58-,59+,60+,61+,62+,63+,64+,65+,66-,68+,69-,72-,73-/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=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@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C73H133N3O31/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-47(84)67(95)76-45(56(88)46(83)34-32-30-28-26-24-16-14-12-10-8-6-2)42-100-68-61(93)60(92)63(53(41-80)102-68)103-69-62(94)66(58(90)51(39-78)101-69)107-73(71(98)99)37-49(86)55(75-44(4)82)65(106-73)59(91)52(40-79)104-72(70(96)97)36-48(85)54(74-43(3)81)64(105-72)57(89)50(87)38-77/h45-66,68-69,77-80,83-94H,5-42H2,1-4H3,(H,74,81)(H,75,82)(H,76,95)(H,96,97)(H,98,99)/t45-,46+,47+,48-,49-,50+,51+,52+,53+,54+,55+,56-,57+,58-,59+,60+,61+,62+,63+,64+,65+,66-,68+,69-,72-,73-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C@H:47]([C:67](=[N:76][C@@H:45]([CH2:42][O:100][C@H:68]1[C@H:61]([OH:93])[C@@H:60]([OH:92])[C@H:63]([O:103][C@H:69]2[C@H:62]([OH:94])[C@@H:66]([O:107][C@:73]3([C:71](=[O:98])[OH:99])[CH2:37][C@H:49]([OH:86])[C@@H:55]([N:75]=[C:44]([CH3:4])[OH:82])[C@H:65]([C@@H:59]([C@@H:52]([CH2:40][OH:79])[O:104][C@@:72]4([C:70](=[O:96])[OH:97])[CH2:36][C@H:48]([OH:85])[C@@H:54]([N:74]=[C:43]([CH3:3])[OH:81])[C@H:64]([C@@H:57]([C@@H:50]([CH2:38][OH:77])[OH:87])[OH:89])[O:105]4)[OH:91])[O:106]3)[C@@H:58]([OH:90])[C@@H:51]([CH2:39][OH:78])[O:101]2)[C@@H:53]([CH2:41][OH:80])[O:102]1)[C@@H:56]([C@@H:46]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:83])[OH:88])[OH:95])[OH:84] |
|