| Properties | Image |
|---|
| MNX_ID | MNXM101859 |
 |
| reference | chebi:68377 |
| formula | C48H78O18 |
| global charge | 0 |
| mol weight | 943.134 |
| InChIKey | IKQKYNWOONQHQK-DVSNLDMXSA-N |
| InChI | InChI=1S/C48H78O18/c1-21-29(52)32(55)35(58)39(61-21)64-37-34(57)31(54)26(20-50)63-41(37)66-42(60)48-15-13-43(2,3)17-23(48)22-9-10-28-45(6)18-24(51)38(65-40-36(59)33(56)30(53)25(19-49)62-40)44(4,5)27(45)11-12-47(28,8)46(22,7)14-16-48/h9,21,23-41,49-59H,10-20H2,1-8H3/t21-,23-,24+,25+,26+,27-,28+,29-,30+,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,45-,46+,47+,48-/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C48H78O18/c1-21-29(52)32(55)35(58)39(61-21)64-37-34(57)31(54)26(20-50)63-41(37)66-42(60)48-15-13-43(2,3)17-23(48)22-9-10-28-45(6)18-24(51)38(65-40-36(59)33(56)30(53)25(19-49)62-40)44(4,5)27(45)11-12-47(28,8)46(22,7)14-16-48/h9,21,23-41,49-59H,10-20H2,1-8H3/t21-,23-,24+,25+,26+,27-,28+,29-,30+,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,45-,46+,47+,48-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:21]1[C@H:29]([OH:52])[C@@H:32]([OH:55])[C@@H:35]([OH:58])[C@H:39]([O:64][C@@H:37]2[C@@H:34]([OH:57])[C@H:31]([OH:54])[C@@H:26]([CH2:20][OH:50])[O:63][C@H:41]2[O:66][C:42]([C@:48]23[CH2:15][CH2:13][C:43]([CH3:2])([CH3:3])[CH2:17][C@H:23]2[C:22]2=[CH:9][CH2:10][C@@H:28]4[C@@:45]5([CH3:6])[CH2:18][C@@H:24]([OH:51])[C@H:38]([O:65][C@H:40]6[C@H:36]([OH:59])[C@@H:33]([OH:56])[C@H:30]([OH:53])[C@@H:25]([CH2:19][OH:49])[O:62]6)[C:44]([CH3:4])([CH3:5])[C@@H:27]5[CH2:11][CH2:12][C@@:47]4([CH3:8])[C@:46]2([CH3:7])[CH2:14][CH2:16]3)=[O:60])[O:61]1 |
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