| Properties | Image |
|---|
| MNX_ID | MNXM47989 |
 |
| reference | chebi:3987 |
| formula | C58H94O27 |
| global charge | 0 |
| mol weight | 1223.363 |
| InChIKey | JPEQATLMKATGAQ-JOONIPAFSA-N |
| InChI | InChI=1S/C58H94O27/c1-52(2)29-7-11-55(5)30(8-12-58-31-15-53(3,22-62)13-14-57(31,23-77-58)32(64)16-56(55,58)6)54(29,4)10-9-33(52)82-50-45(84-49-43(74)40(71)36(67)26(18-60)79-49)38(69)28(21-76-50)81-51-46(85-47-41(72)34(65)24(63)20-75-47)44(37(68)27(19-61)80-51)83-48-42(73)39(70)35(66)25(17-59)78-48/h22,24-51,59-61,63-74H,7-21,23H2,1-6H3/t24-,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+,53+,54+,55-,56+,57-,58+/m1/s1 |
| SMILES | CC1(C)[C@@H](O[C@@H]2OC[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]4O)[C@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3CC[C@]45OC[C@@]6(CC[C@](C)(C=O)C[C@H]64)[C@H](O)C[C@@]5(C)[C@]3(C)CC[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C58H94O27/c1-52(2)29-7-11-55(5)30(8-12-58-31-15-53(3,22-62)13-14-57(31,23-77-58)32(64)16-56(55,58)6)54(29,4)10-9-33(52)82-50-45(84-49-43(74)40(71)36(67)26(18-60)79-49)38(69)28(21-76-50)81-51-46(85-47-41(72)34(65)24(63)20-75-47)44(37(68)27(19-61)80-51)83-48-42(73)39(70)35(66)25(17-59)78-48/h22,24-51,59-61,63-74H,7-21,23H2,1-6H3/t24-,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+,53+,54+,55-,56+,57-,58+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:52]1([CH3:2])[C@@H:29]2[CH2:7][CH2:11][C@:55]3([CH3:5])[C@H:30]([CH2:8][CH2:12][C@@:58]45[C@@H:31]6[CH2:15][C@@:53]([CH3:3])([CH:22]=[O:62])[CH2:13][CH2:14][C@:57]6([CH2:23][O:77]4)[C@H:32]([OH:64])[CH2:16][C@@:56]35[CH3:6])[C@@:54]2([CH3:4])[CH2:10][CH2:9][C@@H:33]1[O:82][C@H:50]1[C@H:45]([O:84][C@H:49]2[C@H:43]([OH:74])[C@@H:40]([OH:71])[C@H:36]([OH:67])[C@@H:26]([CH2:18][OH:60])[O:79]2)[C@@H:38]([OH:69])[C@@H:28]([O:81][C@H:51]2[C@H:46]([O:85][C@H:47]3[C@H:41]([OH:72])[C@@H:34]([OH:65])[C@H:24]([OH:63])[CH2:20][O:75]3)[C@@H:44]([O:83][C@H:48]3[C@H:42]([OH:73])[C@@H:39]([OH:70])[C@H:35]([OH:66])[C@@H:25]([CH2:17][OH:59])[O:78]3)[C@H:37]([OH:68])[C@@H:27]([CH2:19][OH:61])[O:80]2)[CH2:21][O:76]1 |
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