| Properties | Image |
|---|
| MNX_ID | MNXM491993 |
 |
| reference | metacycM:CPD-18763 |
| formula | C44H73NO16 |
| global charge | 0 |
| mol weight | 872.059 |
| InChIKey | OOXSVXSQCBGCTK-XZGGSPBXSA-N |
| InChI | InChI=1S/C44H73NO16/c1-19-7-12-44(45-15-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-40-35(53)33(51)37(29(17-47)58-40)59-41-36(54)38(32(50)28(16-46)57-41)60-39-34(52)31(49)26(48)18-55-39/h19-41,45-54H,5-18H2,1-4H3/t19-,20-,21-,22-,23+,24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34+,35+,36+,37-,38-,39-,40+,41-,42-,43-,44-/m0/s1 |
| SMILES | C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C |
MNX internals
| InChI (mnx) | InChI=1/C44H73NO16/c1-19-7-12-44(45-15-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-40-35(53)33(51)37(29(17-47)58-40)59-41-36(54)38(32(50)28(16-46)57-41)60-39-34(52)31(49)26(48)18-55-39/h19-41,45-54H,5-18H2,1-4H3/t19-,20-,21-,22-,23+,24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34+,35+,36+,37-,38-,39-,40+,41-,42-,43-,44-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:19]1[CH2:7][CH2:12][C@:44]2([C@@H:20]([CH3:2])[C@H:30]3[C@H:27]([CH2:14][C@H:25]4[C@@H:23]5[CH2:6][CH2:5][C@H:21]6[CH2:13][C@@H:22]([O:56][C@H:40]7[C@H:35]([OH:53])[C@@H:33]([OH:51])[C@@H:37]([O:59][C@H:41]8[C@H:36]([OH:54])[C@@H:38]([O:60][C@H:39]9[C@H:34]([OH:52])[C@@H:31]([OH:49])[C@H:26]([OH:48])[CH2:18][O:55]9)[C@H:32]([OH:50])[C@@H:28]([CH2:16][OH:46])[O:57]8)[C@@H:29]([CH2:17][OH:47])[O:58]7)[CH2:8][CH2:10][C@:42]6([CH3:3])[C@H:24]5[CH2:9][CH2:11][C@@:43]43[CH3:4])[O:61]2)[NH:45][CH2:15]1 |
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