| Properties | Image |
|---|
| MNX_ID | MNXM108329 |
 |
| reference | chebi:66790 |
| formula | C47H76O17 |
| global charge | 0 |
| mol weight | 913.108 |
| InChIKey | SOLICHUQXFAOEP-YDIXZRNLSA-N |
| InChI | InChI=1S/C47H76O17/c1-22-30(50)33(53)35(55)38(60-22)64-37-32(52)26(62-39-36(56)34(54)31(51)25(19-48)61-39)20-59-40(37)63-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,41(57)58)17-15-45(23,46)6/h8,22,24-40,48-56H,9-21H2,1-7H3,(H,57,58)/t22-,24-,25+,26-,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C47H76O17/c1-22-30(50)33(53)35(55)38(60-22)64-37-32(52)26(62-39-36(56)34(54)31(51)25(19-48)61-39)20-59-40(37)63-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,41(57)58)17-15-45(23,46)6/h8,22,24-40,48-56H,9-21H2,1-7H3,(H,57,58)/t22-,24-,25+,26-,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:22]1[C@H:30]([OH:50])[C@@H:33]([OH:53])[C@@H:35]([OH:55])[C@H:38]([O:64][C@@H:37]2[C@@H:32]([OH:52])[C@@H:26]([O:62][C@H:39]3[C@H:36]([OH:56])[C@@H:34]([OH:54])[C@H:31]([OH:51])[C@@H:25]([CH2:19][OH:48])[O:61]3)[CH2:20][O:59][C@H:40]2[O:63][C@H:29]2[CH2:11][CH2:12][C@@:43]3([CH3:4])[C@@H:27]([CH2:10][CH2:13][C@:46]4([CH3:7])[C@@H:28]3[CH2:9][CH:8]=[C:23]3[C@@H:24]5[CH2:18][C:42]([CH3:2])([CH3:3])[CH2:14][CH2:16][C@:47]5([C:41](=[O:57])[OH:58])[CH2:17][CH2:15][C@:45]34[CH3:6])[C@:44]2([CH3:5])[CH2:21][OH:49])[O:60]1 |
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