| Properties | Image |
|---|
| MNX_ID | MNXM1581772 |
 |
| reference | vmhM:MGlcn20
vmhM:MGlcn20 |
| formula | C64H107N5O45 |
| global charge | 0 |
| mol weight | 1666.55 |
| InChIKey | GNMGVOGQBPDQAO-FFDOCTGVSA-N |
| InChI | InChI=1S/C64H107N5O45/c1-15-34(83)42(91)45(94)61(98-15)114-55-54(113-57-29(65-16(2)78)40(89)35(84)21(7-70)100-57)39(88)25(11-74)103-64(55)109-50-28(14-77)105-59(110-51-31(67-18(4)80)56(97)99-24(10-73)38(51)87)32(68-19(5)81)53(50)112-60-33(69-20(6)82)52(49(27(13-76)106-60)108-63-47(96)44(93)37(86)23(9-72)102-63)111-58-30(66-17(3)79)41(90)48(26(12-75)104-58)107-62-46(95)43(92)36(85)22(8-71)101-62/h15,21-64,70-77,83-97H,7-14H2,1-6H3,(H,65,78)(H,66,79)(H,67,80)(H,68,81)(H,69,82)/t15-,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+,55-,56-,57-,58-,59-,60-,61+,62-,63-,64-/m1/s1 |
| SMILES | CC(=O)N[C@@H]1[C@@H](O[C@H]2[C@H](NC(C)=O)[C@@H](O[C@H]3[C@H](NC(C)=O)[C@@H](O[C@@H]4[C@@H](O)[C@@H](CO)O[C@@H](O)[C@@H]4NC(C)=O)O[C@@H](CO)[C@H]3O[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]4NC(C)=O)[C@H]3O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)O[C@@H](CO)[C@H]2O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](CO)[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C64H107N5O45/c1-15-34(83)42(91)45(94)61(98-15)114-55-54(113-57-29(65-16(2)78)40(89)35(84)21(7-70)100-57)39(88)25(11-74)103-64(55)109-50-28(14-77)105-59(110-51-31(67-18(4)80)56(97)99-24(10-73)38(51)87)32(68-19(5)81)53(50)112-60-33(69-20(6)82)52(49(27(13-76)106-60)108-63-47(96)44(93)37(86)23(9-72)102-63)111-58-30(66-17(3)79)41(90)48(26(12-75)104-58)107-62-46(95)43(92)36(85)22(8-71)101-62/h15,21-64,70-77,83-97H,7-14H2,1-6H3,(H,65,78)(H,66,79)(H,67,80)(H,68,81)(H,69,82)/t15-,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+,55-,56-,57-,58-,59-,60-,61+,62-,63-,64-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:15]1[C@H:34]([OH:83])[C@H:42]([OH:91])[C@@H:45]([OH:94])[C@H:61]([O:114][C@@H:55]2[C@@H:54]([O:113][C@@H:57]3[C@H:29]([NH:65][C:16]([CH3:2])=[O:78])[C@@H:40]([OH:89])[C@@H:35]([OH:84])[C@H:21]([CH2:7][OH:70])[O:100]3)[C@H:39]([OH:88])[C@H:25]([CH2:11][OH:74])[O:103][C@@H:64]2[O:109][C@@H:50]2[C@H:28]([CH2:14][OH:77])[O:105][C@H:59]([O:110][C@H:51]3[C@@H:31]([NH:67][C:18]([CH3:4])=[O:80])[C@H:56]([OH:97])[O:99][C@H:24]([CH2:10][OH:73])[C@@H:38]3[OH:87])[C@@H:32]([NH:68][C:19]([CH3:5])=[O:81])[C@@H:53]2[O:112][C@@H:60]2[C@@H:33]([NH:69][C:20]([CH3:6])=[O:82])[C@H:52]([O:111][C@@H:58]3[C@@H:30]([NH:66][C:17]([CH3:3])=[O:79])[C@H:41]([OH:90])[C@H:48]([O:107][C@@H:62]4[C@H:46]([OH:95])[C@@H:43]([OH:92])[C@H:36]([OH:85])[C@H:22]([CH2:8][OH:71])[O:101]4)[C@H:26]([CH2:12][OH:75])[O:104]3)[C@H:49]([O:108][C@@H:63]3[C@H:47]([OH:96])[C@@H:44]([OH:93])[C@H:37]([OH:86])[C@H:23]([CH2:9][OH:72])[O:102]3)[C@H:27]([CH2:13][OH:76])[O:106]2)[O:98]1 |
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