| Properties | Image |
|---|
| MNX_ID | MNXM101740 |
 |
| reference | chebi:70444 |
| formula | C65H104O33 |
| global charge | 0 |
| mol weight | 1413.514 |
| InChIKey | QIHODHJJXXXEHU-NJPKDRQOSA-N |
| InChI | InChI=1S/C65H104O33/c1-25-45(93-52-42(80)46(31(73)21-86-52)94-57-50(83)64(85,23-69)24-88-57)48(90-26(2)70)44(82)54(89-25)96-49-37(75)30(72)20-87-56(49)98-58(84)65-14-13-59(3,4)15-28(65)27-9-10-35-60(5)16-29(71)51(61(6,22-68)34(60)11-12-62(35,7)63(27,8)17-36(65)74)97-55-43(81)47(39(77)33(19-67)92-55)95-53-41(79)40(78)38(76)32(18-66)91-53/h9,25,28-57,66-69,71-83,85H,10-24H2,1-8H3/t25-,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-,60-,61+,62+,63+,64+,65+/m0/s1 |
| SMILES | CC(=O)O[C@H]1[C@@H](O)[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@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O)OC[C@H](O)[C@@H]2O)O[C@@H](C)[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/C65H104O33/c1-25-45(93-52-42(80)46(31(73)21-86-52)94-57-50(83)64(85,23-69)24-88-57)48(90-26(2)70)44(82)54(89-25)96-49-37(75)30(72)20-87-56(49)98-58(84)65-14-13-59(3,4)15-28(65)27-9-10-35-60(5)16-29(71)51(61(6,22-68)34(60)11-12-62(35,7)63(27,8)17-36(65)74)97-55-43(81)47(39(77)33(19-67)92-55)95-53-41(79)40(78)38(76)32(18-66)91-53/h9,25,28-57,66-69,71-83,85H,10-24H2,1-8H3/t25-,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-,60-,61+,62+,63+,64+,65+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:25]1[C@H:45]([O:93][C@H:52]2[C@H:42]([OH:80])[C@@H:46]([O:94][C@H:57]3[C@H:50]([OH:83])[C@:64]([CH2:23][OH:69])([OH:85])[CH2:24][O:88]3)[C@H:31]([OH:73])[CH2:21][O:86]2)[C@@H:48]([O:90][C:26]([CH3:2])=[O:70])[C@@H:44]([OH:82])[C@H:54]([O:96][C@@H:49]2[C@@H:37]([OH:75])[C@@H:30]([OH:72])[CH2:20][O:87][C@H:56]2[O:98][C:58]([C@:65]23[CH2:14][CH2:13][C:59]([CH3:3])([CH3:4])[CH2:15][C@H:28]2[C:27]2=[CH:9][CH2:10][C@@H:35]4[C@@:60]5([CH3:5])[CH2:16][C@H:29]([OH:71])[C@H:51]([O:97][C@H:55]6[C@H:43]([OH:81])[C@@H:47]([O:95][C@H:53]7[C@H:41]([OH:79])[C@@H:40]([OH:78])[C@H:38]([OH:76])[C@@H:32]([CH2:18][OH:66])[O:91]7)[C@H:39]([OH:77])[C@@H:33]([CH2:19][OH:67])[O:92]6)[C@:61]([CH3:6])([CH2:22][OH:68])[C@@H:34]5[CH2:11][CH2:12][C@@:62]4([CH3:7])[C@:63]2([CH3:8])[CH2:17][C@H:36]3[OH:74])=[O:84])[O:89]1 |
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