| Properties | Image |
|---|
| MNX_ID | MNXM1063839 |
 |
| reference | slm:000756487 |
| formula | C60H108N2O28 |
| global charge | 0 |
| mol weight | 1305.51 |
| InChIKey | SCYIAKUOAVPVJA-NARFFBQQSA-N |
| InChI | InChI=1S/C60H108N2O28/c1-4-6-8-10-12-13-14-15-16-17-19-20-22-24-34(69)33(62-40(70)25-23-21-18-11-9-7-5-2)31-81-57-49(78)47(76)52(39(30-67)86-57)87-59-51(80)55(45(74)38(29-66)84-59)90-60-50(79)54(44(73)37(28-65)85-60)89-56-41(61-32(3)68)53(43(72)36(27-64)82-56)88-58-48(77)46(75)42(71)35(26-63)83-58/h22,24,33-39,41-60,63-67,69,71-80H,4-21,23,25-31H2,1-3H3,(H,61,68)(H,62,70)/b24-22+/t33-,34+,35+,36+,37+,38+,39+,41+,42-,43-,44-,45-,46-,47+,48+,49+,50+,51+,52+,53+,54-,55-,56-,57+,58-,59-,60+/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](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]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C60H108N2O28/c1-4-6-8-10-12-13-14-15-16-17-19-20-22-24-34(69)33(62-40(70)25-23-21-18-11-9-7-5-2)31-81-57-49(78)47(76)52(39(30-67)86-57)87-59-51(80)55(45(74)38(29-66)84-59)90-60-50(79)54(44(73)37(28-65)85-60)89-56-41(61-32(3)68)53(43(72)36(27-64)82-56)88-58-48(77)46(75)42(71)35(26-63)83-58/h22,24,33-39,41-60,63-67,69,71-80H,4-21,23,25-31H2,1-3H3,(H,61,68)(H,62,70)/b24-22+/t33-,34+,35+,36+,37+,38+,39+,41+,42-,43-,44-,45-,46-,47+,48+,49+,50+,51+,52+,53+,54-,55-,56-,57+,58-,59-,60+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:19][CH2:20]/[CH:22]=[CH:24]/[C@H:34]([C@H:33]([CH2:31][O:81][C@H:57]1[C@H:49]([OH:78])[C@@H:47]([OH:76])[C@H:52]([O:87][C@H:59]2[C@H:51]([OH:80])[C@@H:55]([O:90][C@@H:60]3[C@H:50]([OH:79])[C@@H:54]([O:89][C@H:56]4[C@H:41]([N:61]=[C:32]([CH3:3])[OH:68])[C@@H:53]([O:88][C@H:58]5[C@H:48]([OH:77])[C@@H:46]([OH:75])[C@@H:42]([OH:71])[C@@H:35]([CH2:26][OH:63])[O:83]5)[C@@H:43]([OH:72])[C@@H:36]([CH2:27][OH:64])[O:82]4)[C@@H:44]([OH:73])[C@@H:37]([CH2:28][OH:65])[O:85]3)[C@@H:45]([OH:74])[C@@H:38]([CH2:29][OH:66])[O:84]2)[C@@H:39]([CH2:30][OH:67])[O:86]1)[N:62]=[C:40]([CH2:25][CH2:23][CH2:21][CH2:18][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:70])[OH:69] |
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