| Properties | Image |
|---|
| MNX_ID | MNXM103910 |
 |
| reference | chebi:69606 |
| formula | C56H90O25 |
| global charge | 0 |
| mol weight | 1163.311 |
| InChIKey | HHORBZPRWXKSQO-LKWZKNPLSA-N |
| InChI | InChI=1S/C56H90O25/c1-23(59)74-44-45(75-24(2)60)55-22-73-56(31(55)16-50(44,3)4)15-11-30-52(7)13-12-33(51(5,6)29(52)10-14-53(30,8)54(56,9)17-32(55)62)79-48-42(81-47-41(70)38(67)35(64)26(18-57)76-47)37(66)28(21-72-48)78-49-43(39(68)36(65)27(19-58)77-49)80-46-40(69)34(63)25(61)20-71-46/h25-49,57-58,61-70H,10-22H2,1-9H3/t25-,26-,27-,28+,29+,30-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,48+,49+,52+,53-,54+,55+,56+/m1/s1 |
| SMILES | CC(=O)O[C@H]1[C@H](OC(C)=O)[C@]23CO[C@@]4(CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@@H]3CC1(C)C |
MNX internals
| InChI (mnx) | InChI=1/C56H90O25/c1-23(59)74-44-45(75-24(2)60)55-22-73-56(31(55)16-50(44,3)4)15-11-30-52(7)13-12-33(51(5,6)29(52)10-14-53(30,8)54(56,9)17-32(55)62)79-48-42(81-47-41(70)38(67)35(64)26(18-57)76-47)37(66)28(21-72-48)78-49-43(39(68)36(65)27(19-58)77-49)80-46-40(69)34(63)25(61)20-71-46/h25-49,57-58,61-70H,10-22H2,1-9H3/t25-,26-,27-,28+,29+,30-,31-,32?,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,48+,49+,52+,53-,54+,55+,56+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:23](=[O:59])[O:74][C@H:44]1[C@H:45]([O:75][C:24]([CH3:2])=[O:60])[C@:55]23[CH2:22][O:73][C@@:56]4([CH2:15][CH2:11][C@@H:30]5[C@@:52]6([CH3:7])[CH2:13][CH2:12][C@H:33]([O:79][C@H:48]7[C@H:42]([O:81][C@H:47]8[C@H:41]([OH:70])[C@@H:38]([OH:67])[C@H:35]([OH:64])[C@@H:26]([CH2:18][OH:57])[O:76]8)[C@@H:37]([OH:66])[C@@H:28]([O:78][C@H:49]8[C@H:43]([O:80][C@H:46]9[C@H:40]([OH:69])[C@@H:34]([OH:63])[C@H:25]([OH:61])[CH2:20][O:71]9)[C@@H:39]([OH:68])[C@H:36]([OH:65])[C@@H:27]([CH2:19][OH:58])[O:77]8)[CH2:21][O:72]7)[C:51]([CH3:5])([CH3:6])[C@@H:29]6[CH2:10][CH2:14][C@@:53]5([CH3:8])[C@:54]4([CH3:9])[CH2:17][C@H:32]2[OH:62])[C@@H:31]3[CH2:16][C:50]1([CH3:3])[CH3:4] |
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