| Properties | Image |
|---|
| MNX_ID | MNXM15774 |
 |
| reference | metacycM:CPD-13438 |
| formula | C36H56O28 |
| global charge | 0 |
| mol weight | 936.816 |
| InChIKey | WVSURSFOIYJHST-KFHNRSBBSA-N |
| InChI | InChI=1S/C36H56O28/c37-1-7-13(40)16(43)17(44)32(55-7)60-24-11-5-52-29(24)21(48)35(58-11)64-27-15(42)9(3-39)57-34(20(27)47)62-25-12-6-53-30(25)22(49)36(59-12)63-26-14(41)8(2-38)56-33(19(26)46)61-23-10-4-51-28(23)18(45)31(50)54-10/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]2[C@H]3OC[C@@H]2O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H]5OC[C@@H]4O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]6[C@H]7OC[C@@H]6O[C@@H](O)[C@H]7O)[C@@H]4O)[C@H]5O)[C@@H]2O)[C@H]3O)[C@H](O)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C36H56O28/c37-1-7-13(40)16(43)17(44)32(55-7)60-24-11-5-52-29(24)21(48)35(58-11)64-27-15(42)9(3-39)57-34(20(27)47)62-25-12-6-53-30(25)22(49)36(59-12)63-26-14(41)8(2-38)56-33(19(26)46)61-23-10-4-51-28(23)18(45)31(50)54-10/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:16]([OH:43])[C@@H:17]([OH:44])[C@H:32]([O:60][C@@H:24]2[C@@H:11]3[CH2:5][O:52][C@H:29]2[C@H:21]([OH:48])[C@H:35]([O:64][C@H:27]2[C@@H:15]([OH:42])[C@@H:9]([CH2:3][OH:39])[O:57][C@@H:34]([O:62][C@@H:25]4[C@@H:12]5[CH2:6][O:53][C@H:30]4[C@H:22]([OH:49])[C@H:36]([O:63][C@H:26]4[C@@H:14]([OH:41])[C@@H:8]([CH2:2][OH:38])[O:56][C@@H:33]([O:61][C@@H:23]6[C@@H:10]7[CH2:4][O:51][C@H:28]6[C@H:18]([OH:45])[C@H:31]([OH:50])[O:54]7)[C@@H:19]4[OH:46])[O:59]5)[C@@H:20]2[OH:47])[O:58]3)[O:55]1)[OH:37] |
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