| Properties | Image |
|---|
| MNX_ID | MNXM42759 |
 |
| reference | chebi:2856 |
| formula | C48H78O18 |
| global charge | 0 |
| mol weight | 943.134 |
| InChIKey | MHCDFIFLMYBWIV-PLLMSDPHSA-N |
| InChI | InChI=1S/C48H78O18/c1-43(2)14-16-48(42(60)66-40-36(58)34(56)31(53)25(20-50)62-40)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-41-37(59)38(32(54)26(21-51)63-41)65-39-35(57)33(55)30(52)24(19-49)61-39/h8,23-41,49-59H,9-21H2,1-7H3/t23-,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 | CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 |
MNX internals
| InChI (mnx) | InChI=1/C48H78O18/c1-43(2)14-16-48(42(60)66-40-36(58)34(56)31(53)25(20-50)62-40)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-41-37(59)38(32(54)26(21-51)63-41)65-39-35(57)33(55)30(52)24(19-49)61-39/h8,23-41,49-59H,9-21H2,1-7H3/t23-,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:43]1([CH3:2])[CH2:14][CH2:16][C@:48]2([C:42](=[O:60])[O:66][C@H:40]3[C@H:36]([OH:58])[C@@H:34]([OH:56])[C@H:31]([OH:53])[C@@H:25]([CH2:20][OH:50])[O:62]3)[CH2:17][CH2:15][C@:46]3([CH3:6])[C:22](=[CH:8][CH2:9][C@@H:28]4[C@@:45]5([CH3:5])[CH2:12][CH2:11][C@H:29]([O:64][C@H:41]6[C@H:37]([OH:59])[C@@H:38]([O:65][C@H:39]7[C@H:35]([OH:57])[C@@H:33]([OH:55])[C@@H:30]([OH:52])[C@@H:24]([CH2:19][OH:49])[O:61]7)[C@H:32]([OH:54])[C@@H:26]([CH2:21][OH:51])[O:63]6)[C:44]([CH3:3])([CH3:4])[C@@H:27]5[CH2:10][CH2:13][C@:47]43[CH3:7])[C@@H:23]2[CH2:18]1 |
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