| Properties | Image |
|---|
| MNX_ID | MNXM1581612 |
 |
| reference | vmhM:MGlcn123
vmhM:MGlcn123 |
| formula | C58H95N5O42 |
| global charge | 0 |
| mol weight | 1534.391 |
| InChIKey | GKCXNDOPENVIAX-JJIAHWMHSA-N |
| InChI | InChI=1S/C58H95N5O42/c1-15(70)59-29-20(75)6-57(55(89)90,103-46(29)34(79)22(77)8-64)93-14-28-38(83)45(33(50(88)94-28)63-19(5)74)101-51-31(61-17(3)72)39(84)43(26(12-68)97-51)99-53-41(86)48(36(81)24(10-66)95-53)102-52-32(62-18(4)73)40(85)44(27(13-69)98-52)100-54-42(87)49(37(82)25(11-67)96-54)105-58(56(91)92)7-21(76)30(60-16(2)71)47(104-58)35(80)23(78)9-65/h20-54,64-69,75-88H,6-14H2,1-5H3,(H,59,70)(H,60,71)(H,61,72)(H,62,73)(H,63,74)(H,89,90)(H,91,92)/t20-,21-,22-,23-,24+,25+,26+,27+,28-,29+,30+,31+,32+,33-,34-,35-,36-,37-,38+,39+,40+,41-,42-,43-,44-,45+,46+,47+,48+,49+,50-,51-,52-,53-,54-,57+,58-/m1/s1 |
| SMILES | CC(=O)N[C@@H]1[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@H]3[C@@H](O)[C@H](NC(C)=O)[C@@H](O[C@@H]4[C@@H](O)[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)O[C@@H](O)[C@@H]4NC(C)=O)O[C@H]3CO)O[C@@H](CO)[C@H]2O)O[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](O)CO)O3)[C@H]2O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C58H95N5O42/c1-15(70)59-29-20(75)6-57(55(89)90,103-46(29)34(79)22(77)8-64)93-14-28-38(83)45(33(50(88)94-28)63-19(5)74)101-51-31(61-17(3)72)39(84)43(26(12-68)97-51)99-53-41(86)48(36(81)24(10-66)95-53)102-52-32(62-18(4)73)40(85)44(27(13-69)98-52)100-54-42(87)49(37(82)25(11-67)96-54)105-58(56(91)92)7-21(76)30(60-16(2)71)47(104-58)35(80)23(78)9-65/h20-54,64-69,75-88H,6-14H2,1-5H3,(H,59,70)(H,60,71)(H,61,72)(H,62,73)(H,63,74)(H,89,90)(H,91,92)/t20-,21-,22-,23-,24+,25+,26+,27+,28-,29+,30+,31+,32+,33-,34-,35-,36-,37-,38+,39+,40+,41-,42-,43-,44-,45+,46+,47+,48+,49+,50-,51-,52-,53-,54-,57+,58-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:15]([NH:59][C@H:29]1[C@H:20]([OH:75])[CH2:6][C@:57]([C:55](=[O:89])[OH:90])([O:93][CH2:14][C@@H:28]2[C@H:38]([OH:83])[C@@H:45]([O:101][C@@H:51]3[C@@H:31]([NH:61][C:17]([CH3:3])=[O:72])[C@H:39]([OH:84])[C@H:43]([O:99][C@@H:53]4[C@H:41]([OH:86])[C@@H:48]([O:102][C@@H:52]5[C@@H:32]([NH:62][C:18]([CH3:4])=[O:73])[C@H:40]([OH:85])[C@H:44]([O:100][C@@H:54]6[C@H:42]([OH:87])[C@@H:49]([O:105][C@@:58]7([C:56](=[O:91])[OH:92])[CH2:7][C@@H:21]([OH:76])[C@H:30]([NH:60][C:16]([CH3:2])=[O:71])[C@@H:47]([C@@H:35]([C@@H:23]([CH2:9][OH:65])[OH:78])[OH:80])[O:104]7)[C@H:37]([OH:82])[C@H:25]([CH2:11][OH:67])[O:96]6)[C@H:27]([CH2:13][OH:69])[O:98]5)[C@H:36]([OH:81])[C@H:24]([CH2:10][OH:66])[O:95]4)[C@H:26]([CH2:12][OH:68])[O:97]3)[C@@H:33]([NH:63][C:19]([CH3:5])=[O:74])[C@H:50]([OH:88])[O:94]2)[O:103][C@@H:46]1[C@@H:34]([C@@H:22]([CH2:8][OH:64])[OH:77])[OH:79])=[O:70] |
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