| Properties | Image |
|---|
| MNX_ID | MNXM108083 |
 |
| reference | chebi:70439 |
| formula | C63H102O33 |
| global charge | 0 |
| mol weight | 1387.476 |
| InChIKey | PXQNZQURQNZGKZ-MXNHKPIDSA-N |
| InChI | InChI=1S/C63H102O33/c1-24-44(91-50-42(80)45(29(71)19-85-50)92-55-48(82)62(84,22-68)23-87-55)39(77)41(79)51(88-24)94-47-35(73)28(70)18-86-54(47)96-56(83)63-12-11-57(2,3)13-26(63)25-7-8-32-58(4)14-27(69)49(61(20-66,21-67)33(58)9-10-59(32,5)60(25,6)15-34(63)72)95-53-43(81)46(37(75)31(17-65)90-53)93-52-40(78)38(76)36(74)30(16-64)89-52/h7,24,26-55,64-82,84H,8-23H2,1-6H3/t24-,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-,52-,53-,54-,55-,58+,59+,60+,62+,63+/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)C(CO)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C63H102O33/c1-24-44(91-50-42(80)45(29(71)19-85-50)92-55-48(82)62(84,22-68)23-87-55)39(77)41(79)51(88-24)94-47-35(73)28(70)18-86-54(47)96-56(83)63-12-11-57(2,3)13-26(63)25-7-8-32-58(4)14-27(69)49(61(20-66,21-67)33(58)9-10-59(32,5)60(25,6)15-34(63)72)95-53-43(81)46(37(75)31(17-65)90-53)93-52-40(78)38(76)36(74)30(16-64)89-52/h7,24,26-55,64-82,84H,8-23H2,1-6H3/t24-,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-,52-,53-,54-,55-,58+,59+,60+,62+,63+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:24]1[C@H:44]([O:91][C@H:50]2[C@H:42]([OH:80])[C@@H:45]([O:92][C@H:55]3[C@H:48]([OH:82])[C@:62]([CH2:22][OH:68])([OH:84])[CH2:23][O:87]3)[C@H:29]([OH:71])[CH2:19][O:85]2)[C@@H:39]([OH:77])[C@@H:41]([OH:79])[C@H:51]([O:94][C@@H:47]2[C@@H:35]([OH:73])[C@@H:28]([OH:70])[CH2:18][O:86][C@H:54]2[O:96][C:56]([C@:63]23[CH2:12][CH2:11][C:57]([CH3:2])([CH3:3])[CH2:13][C@H:26]2[C:25]2=[CH:7][CH2:8][C@@H:32]4[C@@:58]5([CH3:4])[CH2:14][C@H:27]([OH:69])[C@H:49]([O:95][C@H:53]6[C@H:43]([OH:81])[C@@H:46]([O:93][C@H:52]7[C@H:40]([OH:78])[C@@H:38]([OH:76])[C@H:36]([OH:74])[C@@H:30]([CH2:16][OH:64])[O:89]7)[C@H:37]([OH:75])[C@@H:31]([CH2:17][OH:65])[O:90]6)[C:61]([CH2:20][OH:66])([CH2:21][OH:67])[C@@H:33]5[CH2:9][CH2:10][C@@:59]4([CH3:5])[C@:60]2([CH3:6])[CH2:15][C@H:34]3[OH:72])=[O:83])[O:88]1 |
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