| Properties | Image |
|---|
| MNX_ID | MNXM8937 |
 |
| reference | metacycM:CPD-13436 |
| formula | C36H56O28 |
| global charge | 0 |
| mol weight | 936.816 |
| InChIKey | LOMHJQQPLUAPJB-AOGJQIKSSA-N |
| InChI | InChI=1S/C36H56O28/c37-1-7-13(40)26(17(44)31(50)54-7)62-35-21(48)29-23(11(58-35)5-52-29)60-34-20(47)28(15(42)9(3-39)56-34)64-36-22(49)30-24(12(59-36)6-53-30)61-33-19(46)27(14(41)8(2-38)55-33)63-32-18(45)25-16(43)10(57-32)4-51-25/h7-50H,1-6H2/t7-,8-,9-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19-,20-,21+,22+,23-,24-,25-,26+,27+,28+,29+,30+,31-,32+,33+,34+,35+,36+/m1/s1 |
| SMILES | OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O[C@@H]2O[C@H]3CO[C@@H]([C@@H]2O)[C@@H]3O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H]4CO[C@@H]([C@@H]3O)[C@@H]4O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H]5CO[C@@H]([C@@H]4O)[C@@H]5O)[C@H]3O)[C@H]2O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C36H56O28/c37-1-7-13(40)26(17(44)31(50)54-7)62-35-21(48)29-23(11(58-35)5-52-29)60-34-20(47)28(15(42)9(3-39)56-34)64-36-22(49)30-24(12(59-36)6-53-30)61-33-19(46)27(14(41)8(2-38)55-33)63-32-18(45)25-16(43)10(57-32)4-51-25/h7-50H,1-6H2/t7-,8-,9-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19-,20-,21+,22+,23-,24-,25-,26+,27+,28+,29+,30+,31-,32+,33+,34+,35+,36+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]([C@@H:7]1[C@H:13]([OH:40])[C@H:26]([O:62][C@H:35]2[C@@H:21]([OH:48])[C@H:29]3[C@H:23]([O:60][C@H:34]4[C@H:20]([OH:47])[C@@H:28]([O:64][C@H:36]5[C@@H:22]([OH:49])[C@H:30]6[C@H:24]([O:61][C@H:33]7[C@H:19]([OH:46])[C@@H:27]([O:63][C@H:32]8[C@@H:18]([OH:45])[C@H:25]9[C@H:16]([OH:43])[C@H:10]([CH2:4][O:51]9)[O:57]8)[C@@H:14]([OH:41])[C@@H:8]([CH2:2][OH:38])[O:55]7)[C@H:12]([CH2:6][O:53]6)[O:59]5)[C@@H:15]([OH:42])[C@@H:9]([CH2:3][OH:39])[O:56]4)[C@H:11]([CH2:5][O:52]3)[O:58]2)[C@@H:17]([OH:44])[C@H:31]([OH:50])[O:54]1)[OH:37] |
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