| Properties | Image |
|---|
| MNX_ID | MNXM40484 |
 |
| reference | chebi:81175 |
| formula | C47H76O16 |
| global charge | 0 |
| mol weight | 897.109 |
| InChIKey | PVIHUXKVGLMWEM-UYGRZQOISA-N |
| InChI | InChI=1S/C47H76O16/c1-22-30(49)33(52)35(54)38(60-22)59-21-26-32(51)34(53)36(55)39(61-26)63-37-31(50)25(48)20-58-40(37)62-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38+,39-,40-,44-,45+,46+,47-/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@H]3[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC=C7[C@@H]8CC(C)(C)CC[C@]8(C(=O)O)CC[C@@]7(C)[C@]6(C)CC[C@H]5C4(C)C)OC[C@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C47H76O16/c1-22-30(49)33(52)35(54)38(60-22)59-21-26-32(51)34(53)36(55)39(61-26)63-37-31(50)25(48)20-58-40(37)62-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38+,39-,40-,44-,45+,46+,47-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:22]1[C@H:30]([OH:49])[C@@H:33]([OH:52])[C@@H:35]([OH:54])[C@H:38]([O:59][CH2:21][C@@H:26]2[C@@H:32]([OH:51])[C@H:34]([OH:53])[C@@H:36]([OH:55])[C@H:39]([O:63][C@@H:37]3[C@@H:31]([OH:50])[C@@H:25]([OH:48])[CH2:20][O:58][C@H:40]3[O:62][C@H:29]3[CH2:12][CH2:13][C@@:44]4([CH3:6])[C@@H:27]([CH2:11][CH2:14][C@:46]5([CH3:8])[C@@H:28]4[CH2:10][CH:9]=[C:23]4[C@@H:24]6[CH2:19][C:42]([CH3:2])([CH3:3])[CH2:15][CH2:17][C@:47]6([C:41](=[O:56])[OH:57])[CH2:18][CH2:16][C@:45]45[CH3:7])[C:43]3([CH3:4])[CH3:5])[O:61]2)[O:60]1 |
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