| Properties | Image |
|---|
| MNX_ID | MNXM104483 |
 |
| reference | chebi:65761 |
| formula | C59H94O29 |
| global charge | 0 |
| mol weight | 1267.372 |
| InChIKey | NKURNVCWJJFIBK-VIYGISPWSA-N |
| InChI | InChI=1S/C59H94O29/c1-54(2)13-15-59(16-14-56(4)23(24(59)17-54)7-8-30-55(3)11-10-32(85-47-41(72)33(64)25(63)21-79-47)58(6,52(76)77)31(55)9-12-57(30,56)5)53(78)88-50-44(75)45(86-48-42(73)38(69)34(65)26(18-60)81-48)37(68)29(84-50)22-80-51-46(40(71)36(67)28(20-62)83-51)87-49-43(74)39(70)35(66)27(19-61)82-49/h7,24-51,60-75H,8-22H2,1-6H3,(H,76,77)/t24-,25-,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+,55+,56+,57+,58-,59-/m0/s1 |
| SMILES | CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2C1 |
MNX internals
| InChI (mnx) | InChI=1/C59H94O29/c1-54(2)13-15-59(16-14-56(4)23(24(59)17-54)7-8-30-55(3)11-10-32(85-47-41(72)33(64)25(63)21-79-47)58(6,52(76)77)31(55)9-12-57(30,56)5)53(78)88-50-44(75)45(86-48-42(73)38(69)34(65)26(18-60)81-48)37(68)29(84-50)22-80-51-46(40(71)36(67)28(20-62)83-51)87-49-43(74)39(70)35(66)27(19-61)82-49/h7,24-51,60-75H,8-22H2,1-6H3,(H,76,77)/t24-,25-,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+,55+,56+,57+,58-,59-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:54]1([CH3:2])[CH2:13][CH2:15][C@:59]2([C:53](=[O:78])[O:88][C@H:50]3[C@H:44]([OH:75])[C@@H:45]([O:86][C@H:48]4[C@H:42]([OH:73])[C@@H:38]([OH:69])[C@H:34]([OH:65])[C@@H:26]([CH2:18][OH:60])[O:81]4)[C@H:37]([OH:68])[C@@H:29]([CH2:22][O:80][C@H:51]4[C@H:46]([O:87][C@H:49]5[C@H:43]([OH:74])[C@@H:39]([OH:70])[C@H:35]([OH:66])[C@@H:27]([CH2:19][OH:61])[O:82]5)[C@@H:40]([OH:71])[C@H:36]([OH:67])[C@@H:28]([CH2:20][OH:62])[O:83]4)[O:84]3)[CH2:16][CH2:14][C@:56]3([CH3:4])[C:23](=[CH:7][CH2:8][C@@H:30]4[C@@:55]5([CH3:3])[CH2:11][CH2:10][C@H:32]([O:85][C@H:47]6[C@H:41]([OH:72])[C@@H:33]([OH:64])[C@@H:25]([OH:63])[CH2:21][O:79]6)[C@@:58]([CH3:6])([C:52](=[O:76])[OH:77])[C@@H:31]5[CH2:9][CH2:12][C@:57]43[CH3:5])[C@@H:24]2[CH2:17]1 |
|