| Properties | Image |
|---|
| MNX_ID | MNXM108602 |
 |
| reference | chebi:66315 |
| formula | C47H76O17 |
| global charge | 0 |
| mol weight | 913.108 |
| InChIKey | GIGMOKRQIQCYNY-JFEKQVAJSA-N |
| InChI | InChI=1S/C47H76O17/c1-21-8-14-46-20-59-47(38(46)22(21)2)15-10-27-42(4)12-11-29(43(5,19-49)26(42)9-13-44(27,6)45(47,7)16-28(46)51)62-40-36(33(55)30(52)23(3)60-40)64-41-37(34(56)32(54)25(17-48)61-41)63-39-35(57)31(53)24(50)18-58-39/h10,15,21-41,48-57H,8-9,11-14,16-20H2,1-7H3/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+/m1/s1 |
| SMILES | C[C@H]1[C@H](C)CC[C@]23CO[C@@]4(C=C[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@H]13 |
MNX internals
| InChI (mnx) | InChI=1/C47H76O17/c1-21-8-14-46-20-59-47(38(46)22(21)2)15-10-27-42(4)12-11-29(43(5,19-49)26(42)9-13-44(27,6)45(47,7)16-28(46)51)62-40-36(33(55)30(52)23(3)60-40)64-41-37(34(56)32(54)25(17-48)61-41)63-39-35(57)31(53)24(50)18-58-39/h10,15,21-41,48-57H,8-9,11-14,16-20H2,1-7H3/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+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:21]1[CH2:8][CH2:14][C@:46]23[CH2:20][O:59][C@@:47]4([CH:15]=[CH:10][C@@H:27]5[C@@:42]6([CH3:4])[CH2:12][CH2:11][C@H:29]([O:62][C@H:40]7[C@H:36]([O:64][C@H:41]8[C@H:37]([O:63][C@H:39]9[C@H:35]([OH:57])[C@@H:31]([OH:53])[C@H:24]([OH:50])[CH2:18][O:58]9)[C@@H:34]([OH:56])[C@H:32]([OH:54])[C@@H:25]([CH2:17][OH:48])[O:61]8)[C@@H:33]([OH:55])[C@@H:30]([OH:52])[C@@H:23]([CH3:3])[O:60]7)[C@@:43]([CH3:5])([CH2:19][OH:49])[C@@H:26]6[CH2:9][CH2:13][C@@:44]5([CH3:6])[C@:45]4([CH3:7])[CH2:16][C@H:28]2[OH:51])[C@@H:38]3[C@H:22]1[CH3:2] |
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