| Properties | Image |
|---|
| MNX_ID | MNXM108741 |
 |
| reference | chebi:66439 |
| formula | C58H94O27 |
| global charge | 0 |
| mol weight | 1223.363 |
| InChIKey | LLBZPESJRQGYMB-VFEURASPSA-N |
| InChI | InChI=1S/C58H94O27/c1-8-27(62)29-17-23(2)58(85-29)16-15-56(6)26-9-10-33-54(4,25(26)11-14-57(56,58)7)13-12-34(55(33,5)22-61)81-50-44(73)42(71)38(67)32(80-50)21-76-52-47(36(65)28(63)20-75-52)83-53-48(84-49-43(72)40(69)35(64)24(3)77-49)46(39(68)31(19-60)79-53)82-51-45(74)41(70)37(66)30(18-59)78-51/h23-24,28-53,59-61,63-74H,8-22H2,1-7H3/t23-,24+,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+/m1/s1 |
| SMILES | CCC(=O)[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C)C4=C(CC[C@@]32C)[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](CO[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]3O)[C@](C)(CO)[C@@H]2CC4)O1 |
MNX internals
| InChI (mnx) | InChI=1/C58H94O27/c1-8-27(62)29-17-23(2)58(85-29)16-15-56(6)26-9-10-33-54(4,25(26)11-14-57(56,58)7)13-12-34(55(33,5)22-61)81-50-44(73)42(71)38(67)32(80-50)21-76-52-47(36(65)28(63)20-75-52)83-53-48(84-49-43(72)40(69)35(64)24(3)77-49)46(39(68)31(19-60)79-53)82-51-45(74)41(70)37(66)30(18-59)78-51/h23-24,28-53,59-61,63-74H,8-22H2,1-7H3/t23-,24+,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+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][C:27]([C@@H:29]1[CH2:17][C@@H:23]([CH3:2])[C@:58]2([CH2:16][CH2:15][C@@:56]3([CH3:6])[C:26]4=[C:25]([CH2:11][CH2:14][C@@:57]32[CH3:7])[C@@:54]2([CH3:4])[CH2:13][CH2:12][C@H:34]([O:81][C@H:50]3[C@H:44]([OH:73])[C@@H:42]([OH:71])[C@H:38]([OH:67])[C@@H:32]([CH2:21][O:76][C@H:52]5[C@H:47]([O:83][C@H:53]6[C@H:48]([O:84][C@H:49]7[C@H:43]([OH:72])[C@H:40]([OH:69])[C@@H:35]([OH:64])[C@H:24]([CH3:3])[O:77]7)[C@@H:46]([O:82][C@H:51]7[C@H:45]([OH:74])[C@@H:41]([OH:70])[C@H:37]([OH:66])[C@@H:30]([CH2:18][OH:59])[O:78]7)[C@H:39]([OH:68])[C@@H:31]([CH2:19][OH:60])[O:79]6)[C@@H:36]([OH:65])[C@@H:28]([OH:63])[CH2:20][O:75]5)[O:80]3)[C@:55]([CH3:5])([CH2:22][OH:61])[C@@H:33]2[CH2:10][CH2:9]4)[O:85]1)=[O:62] |
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