| Properties | Image |
|---|
| MNX_ID | MNXM47607 |
 |
| reference | chebi:3864 |
| formula | C57H94O27 |
| global charge | 0 |
| mol weight | 1211.352 |
| InChIKey | FNDDEEUISKKDMU-VQDATVTDSA-N |
| InChI | InChI=1S/C57H94O27/c1-20(19-74-50-44(69)40(65)37(62)31(17-58)79-50)10-13-57(73)21(2)34-30(84-57)16-29-27-9-8-25-14-26(78-51-47(72)43(68)48(24(5)77-51)82-53-46(71)41(66)38(63)32(18-59)80-53)15-33(56(25,7)28(27)11-12-55(29,34)6)81-54-49(42(67)36(61)23(4)76-54)83-52-45(70)39(64)35(60)22(3)75-52/h21-54,58-73H,1,8-19H2,2-7H3/t21-,22-,23+,24-,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-,52-,53-,54-,55-,56-,57+/m0/s1 |
| SMILES | C=C(CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O[C@@H]6O[C@@H](C)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H]6O)C[C@@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C57H94O27/c1-20(19-74-50-44(69)40(65)37(62)31(17-58)79-50)10-13-57(73)21(2)34-30(84-57)16-29-27-9-8-25-14-26(78-51-47(72)43(68)48(24(5)77-51)82-53-46(71)41(66)38(63)32(18-59)80-53)15-33(56(25,7)28(27)11-12-55(29,34)6)81-54-49(42(67)36(61)23(4)76-54)83-52-45(70)39(64)35(60)22(3)75-52/h21-54,58-73H,1,8-19H2,2-7H3/t21-,22-,23+,24-,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-,52-,53-,54-,55-,56-,57+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:20]([CH2:10][CH2:13][C@:57]1([OH:73])[C@@H:21]([CH3:2])[C@H:34]2[C@H:30]([CH2:16][C@H:29]3[C@@H:27]4[CH2:9][CH2:8][C@@H:25]5[CH2:14][C@@H:26]([O:78][C@H:51]6[C@H:47]([OH:72])[C@H:43]([OH:68])[C@@H:48]([O:82][C@H:53]7[C@H:46]([OH:71])[C@@H:41]([OH:66])[C@H:38]([OH:63])[C@@H:32]([CH2:18][OH:59])[O:80]7)[C@H:24]([CH3:5])[O:77]6)[CH2:15][C@@H:33]([O:81][C@H:54]6[C@H:49]([O:83][C@H:52]7[C@H:45]([OH:70])[C@H:39]([OH:64])[C@@H:35]([OH:60])[C@H:22]([CH3:3])[O:75]7)[C@@H:42]([OH:67])[C@H:36]([OH:61])[C@@H:23]([CH3:4])[O:76]6)[C@:56]5([CH3:7])[C@H:28]4[CH2:11][CH2:12][C@@:55]32[CH3:6])[O:84]1)[CH2:19][O:74][C@H:50]1[C@H:44]([OH:69])[C@@H:40]([OH:65])[C@H:37]([OH:62])[C@@H:31]([CH2:17][OH:58])[O:79]1 |
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