| Properties | Image |
|---|
| MNX_ID | MNXM1066102 |
 |
| reference | slm:000759211 |
| formula | C69H128N2O27 |
| global charge | 0 |
| mol weight | 1417.77 |
| InChIKey | YITDUVFJKNRNDI-JPCPIOAOSA-N |
| InChI | InChI=1S/C69H128N2O27/c1-6-7-8-9-10-11-12-13-14-15-18-21-24-27-30-33-44(77)43(71-49(78)34-31-28-25-22-19-16-17-20-23-26-29-32-40(2)3)39-89-66-59(87)56(84)62(47(37-74)93-66)96-68-60(88)57(85)61(48(38-75)94-68)95-65-50(70-42(5)76)63(53(81)46(36-73)91-65)97-69-64(55(83)52(80)45(35-72)92-69)98-67-58(86)54(82)51(79)41(4)90-67/h40-41,43-48,50-69,72-75,77,79-88H,6-39H2,1-5H3,(H,70,76)(H,71,78)/t41-,43-,44+,45+,46+,47+,48+,50+,51+,52-,53-,54+,55-,56+,57+,58-,59+,60+,61-,62+,63+,64+,65-,66+,67-,68-,69-/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCC[C@@H](O)[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]4O[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]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C69H128N2O27/c1-6-7-8-9-10-11-12-13-14-15-18-21-24-27-30-33-44(77)43(71-49(78)34-31-28-25-22-19-16-17-20-23-26-29-32-40(2)3)39-89-66-59(87)56(84)62(47(37-74)93-66)96-68-60(88)57(85)61(48(38-75)94-68)95-65-50(70-42(5)76)63(53(81)46(36-73)91-65)97-69-64(55(83)52(80)45(35-72)92-69)98-67-58(86)54(82)51(79)41(4)90-67/h40-41,43-48,50-69,72-75,77,79-88H,6-39H2,1-5H3,(H,70,76)(H,71,78)/t41-,43-,44+,45+,46+,47+,48+,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][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:18][CH2:21][CH2:24][CH2:27][CH2:30][CH2:33][C@H:44]([C@H:43]([CH2:39][O:89][C@H:66]1[C@H:59]([OH:87])[C@@H:56]([OH:84])[C@H:62]([O:96][C@H:68]2[C@H:60]([OH:88])[C@@H:57]([OH:85])[C@@H:61]([O:95][C@H:65]3[C@H:50]([N:70]=[C:42]([CH3:5])[OH:76])[C@@H:63]([O:97][C@H:69]4[C@H:64]([O:98][C@H:67]5[C@@H:58]([OH:86])[C@H:54]([OH:82])[C@H:51]([OH:79])[C@H:41]([CH3:4])[O:90]5)[C@@H:55]([OH:83])[C@@H:52]([OH:80])[C@@H:45]([CH2:35][OH:72])[O:92]4)[C@@H:53]([OH:81])[C@@H:46]([CH2:36][OH:73])[O:91]3)[C@@H:48]([CH2:38][OH:75])[O:94]2)[C@@H:47]([CH2:37][OH:74])[O:93]1)[N:71]=[C:49]([CH2:34][CH2:31][CH2:28][CH2:25][CH2:22][CH2:19][CH2:16][CH2:17][CH2:20][CH2:23][CH2:26][CH2:29][CH2:32][CH:40]([CH3:2])[CH3:3])[OH:78])[OH:77] |
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