| Properties | Image |
|---|
| MNX_ID | MNXM1060130 |
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| reference | slm:000752724 |
| formula | C76H137NO33 |
| global charge | 0 |
| mol weight | 1592.906 |
| InChIKey | QDOGSSGUURKHLP-CVDGYLNESA-N |
| InChI | InChI=1S/C76H137NO33/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-52(85)77-44(45(84)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)43-99-71-61(94)58(91)66(50(41-82)104-71)106-73-62(95)59(92)67(51(42-83)105-73)107-74-63(96)69(55(88)47(38-79)101-74)109-76-65(98)70(56(89)49(40-81)103-76)110-75-64(97)68(54(87)48(39-80)102-75)108-72-60(93)57(90)53(86)46(37-78)100-72/h17-18,33,35,44-51,53-76,78-84,86-98H,3-16,19-32,34,36-43H2,1-2H3,(H,77,85)/b18-17-,35-33+/t44-,45+,46+,47+,48+,49+,50+,51+,53-,54-,55-,56-,57-,58+,59+,60+,61+,62+,63+,64+,65+,66+,67-,68-,69-,70-,71+,72+,73-,74+,75+,76+/m0/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCC(=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]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[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=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C76H137NO33/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-52(85)77-44(45(84)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)43-99-71-61(94)58(91)66(50(41-82)104-71)106-73-62(95)59(92)67(51(42-83)105-73)107-74-63(96)69(55(88)47(38-79)101-74)109-76-65(98)70(56(89)49(40-81)103-76)110-75-64(97)68(54(87)48(39-80)102-75)108-72-60(93)57(90)53(86)46(37-78)100-72/h17-18,33,35,44-51,53-76,78-84,86-98H,3-16,19-32,34,36-43H2,1-2H3,(H,77,85)/b18-17-,35-33+/t44-,45+,46+,47+,48+,49+,50+,51+,53-,54-,55-,56-,57-,58+,59+,60+,61+,62+,63+,64+,65+,66+,67-,68-,69-,70-,71+,72+,73-,74+,75+,76+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:52](=[N:77][C@@H:44]([CH2:43][O:99][C@H:71]1[C@H:61]([OH:94])[C@@H:58]([OH:91])[C@H:66]([O:106][C@H:73]2[C@H:62]([OH:95])[C@@H:59]([OH:92])[C@@H:67]([O:107][C@@H:74]3[C@H:63]([OH:96])[C@@H:69]([O:109][C@@H:76]4[C@H:65]([OH:98])[C@@H:70]([O:110][C@@H:75]5[C@H:64]([OH:97])[C@@H:68]([O:108][C@@H:72]6[C@H:60]([OH:93])[C@@H:57]([OH:90])[C@@H:53]([OH:86])[C@@H:46]([CH2:37][OH:78])[O:100]6)[C@@H:54]([OH:87])[C@@H:48]([CH2:39][OH:80])[O:102]5)[C@@H:56]([OH:89])[C@@H:49]([CH2:40][OH:81])[O:103]4)[C@@H:55]([OH:88])[C@@H:47]([CH2:38][OH:79])[O:101]3)[C@@H:51]([CH2:42][OH:83])[O:105]2)[C@@H:50]([CH2:41][OH:82])[O:104]1)[C@@H:45](/[CH:35]=[CH: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:84])[OH:85] |
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