| Properties | Image |
|---|
| MNX_ID | MNXM1593432 |
 |
| reference | vmhM:crbs_ptcsa_ptos
vmhM:crbs_ptcsa_ptos |
| formula | C75H138N2O28 |
| global charge | 0 |
| mol weight | 1515.915 |
| InChIKey | MKOUGKFPYHTTCU-TUFVQFCCSA-N |
| InChI | InChI=1S/C75H138N2O28/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-55(85)77-48(49(84)39-37-35-33-31-29-27-17-15-13-11-9-7-5-2)46-96-72-64(93)61(90)67(53(44-81)100-72)102-74-65(94)62(91)68(54(45-82)101-74)103-75-66(95)70(59(88)52(43-80)99-75)105-71-56(76-47(3)83)69(58(87)51(42-79)97-71)104-73-63(92)60(89)57(86)50(41-78)98-73/h37,39,48-54,56-75,78-82,84,86-95H,4-36,38,40-46H2,1-3H3,(H,76,83)(H,77,85)/b39-37+/t48-,49+,50+,51+,52+,53+,54+,56+,57-,58-,59-,60-,61+,62+,63+,64+,65+,66+,67+,68-,69+,70-,71-,72+,73-,74-,75+/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C75H138N2O28/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-55(85)77-48(49(84)39-37-35-33-31-29-27-17-15-13-11-9-7-5-2)46-96-72-64(93)61(90)67(53(44-81)100-72)102-74-65(94)62(91)68(54(45-82)101-74)103-75-66(95)70(59(88)52(43-80)99-75)105-71-56(76-47(3)83)69(58(87)51(42-79)97-71)104-73-63(92)60(89)57(86)50(41-78)98-73/h37,39,48-54,56-75,78-82,84,86-95H,4-36,38,40-46H2,1-3H3,(H,76,83)(H,77,85)/b39-37+/t48-,49+,50+,51+,52+,53+,54+,56+,57-,58-,59-,60-,61+,62+,63+,64+,65+,66+,67+,68-,69+,70-,71-,72+,73-,74-,75+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:55]([NH:77][C@@H:48]([CH2:46][O:96][C@H:72]1[C@H:64]([OH:93])[C@@H:61]([OH:90])[C@H:67]([O:102][C@H:74]2[C@H:65]([OH:94])[C@@H:62]([OH:91])[C@@H:68]([O:103][C@@H:75]3[C@H:66]([OH:95])[C@@H:70]([O:105][C@H:71]4[C@H:56]([NH:76][C:47]([CH3:3])=[O:83])[C@@H:69]([O:104][C@H:73]5[C@H:63]([OH:92])[C@@H:60]([OH:89])[C@@H:57]([OH:86])[C@@H:50]([CH2:41][OH:78])[O:98]5)[C@@H:58]([OH:87])[C@@H:51]([CH2:42][OH:79])[O:97]4)[C@@H:59]([OH:88])[C@@H:52]([CH2:43][OH:80])[O:99]3)[C@@H:54]([CH2:45][OH:82])[O:101]2)[C@@H:53]([CH2:44][OH:81])[O:100]1)[C@@H:49](/[CH:39]=[CH:37]/[CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:84])=[O:85] |
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