| Properties | Image |
|---|
| MNX_ID | MNXM106381 |
 |
| reference | chebi:66653 |
| formula | C69H112O36 |
| global charge | 0 |
| mol weight | 1517.619 |
| InChIKey | GOCQBMDZEDNKSZ-RAJYQNHOSA-N |
| InChI | InChI=1S/C69H112O36/c1-25-36(78)41(83)44(86)56(95-25)99-47-34(19-71)98-59(51(45(47)87)101-55-43(85)38(80)31(76)20-92-55)100-48-37(79)26(2)96-57(46(48)88)102-49-39(81)32(77)21-93-58(49)105-62(90)68-13-11-63(3,4)15-28(68)27-9-10-35-64(5)16-30(75)54(65(6,22-72)52(64)29(74)17-67(35,8)66(27,7)12-14-68)104-60-50(42(84)40(82)33(18-70)97-60)103-61-53(89)69(91,23-73)24-94-61/h9,25-26,28-61,70-89,91H,10-24H2,1-8H3/t25-,26-,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-,56-,57-,58-,59-,60-,61-,64+,65-,66+,67+,68-,69+/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](O[C@H]4[C@H](OC(=O)[C@]56CCC(C)(C)C[C@H]5C5=CC[C@@H]7[C@@]8(C)C[C@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O[C@@H]9OC[C@](O)(CO)[C@H]9O)[C@@](C)(CO)[C@@H]8[C@H](O)C[C@@]7(C)[C@]5(C)CC6)OC[C@H](O)[C@@H]4O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C69H112O36/c1-25-36(78)41(83)44(86)56(95-25)99-47-34(19-71)98-59(51(45(47)87)101-55-43(85)38(80)31(76)20-92-55)100-48-37(79)26(2)96-57(46(48)88)102-49-39(81)32(77)21-93-58(49)105-62(90)68-13-11-63(3,4)15-28(68)27-9-10-35-64(5)16-30(75)54(65(6,22-72)52(64)29(74)17-67(35,8)66(27,7)12-14-68)104-60-50(42(84)40(82)33(18-70)97-60)103-61-53(89)69(91,23-73)24-94-61/h9,25-26,28-61,70-89,91H,10-24H2,1-8H3/t25-,26-,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-,56-,57-,58-,59-,60-,61-,64+,65-,66+,67+,68-,69+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:25]1[C@H:36]([OH:78])[C@@H:41]([OH:83])[C@@H:44]([OH:86])[C@H:56]([O:99][C@@H:47]2[C@@H:34]([CH2:19][OH:71])[O:98][C@@H:59]([O:100][C@@H:48]3[C@@H:37]([OH:79])[C@H:26]([CH3:2])[O:96][C@@H:57]([O:102][C@@H:49]4[C@@H:39]([OH:81])[C@@H:32]([OH:77])[CH2:21][O:93][C@H:58]4[O:105][C:62]([C@:68]45[CH2:13][CH2:11][C:63]([CH3:3])([CH3:4])[CH2:15][C@H:28]4[C:27]4=[CH:9][CH2:10][C@@H:35]6[C@@:64]7([CH3:5])[CH2:16][C@H:30]([OH:75])[C@H:54]([O:104][C@H:60]8[C@H:50]([O:103][C@H:61]9[C@H:53]([OH:89])[C@:69]([CH2:23][OH:73])([OH:91])[CH2:24][O:94]9)[C@@H:42]([OH:84])[C@H:40]([OH:82])[C@@H:33]([CH2:18][OH:70])[O:97]8)[C@@:65]([CH3:6])([CH2:22][OH:72])[C@@H:52]7[C@H:29]([OH:74])[CH2:17][C@@:67]6([CH3:8])[C@:66]4([CH3:7])[CH2:12][CH2:14]5)=[O:90])[C@@H:46]3[OH:88])[C@H:51]([O:101][C@H:55]3[C@H:43]([OH:85])[C@@H:38]([OH:80])[C@H:31]([OH:76])[CH2:20][O:92]3)[C@H:45]2[OH:87])[O:95]1 |
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