| Properties | Image |
|---|
| MNX_ID | MNXM101861 |
 |
| reference | chebi:67801 |
| formula | C48H75NO17 |
| global charge | 0 |
| mol weight | 938.118 |
| InChIKey | HCPJVMUCDGEUPL-PYRSKJNPSA-N |
| InChI | InChI=1S/C48H75NO17/c1-21(50)49-32-36(57)35(56)26(20-62-41-38(34(55)25(52)19-61-41)66-40-37(58)33(54)24(51)18-60-40)63-39(32)64-30-12-13-45(6)27(44(30,4)5)11-14-46(7)28(45)10-9-22-23-15-43(2,3)31-17-48(23,42(59)65-31)29(53)16-47(22,46)8/h9,23-41,51-58H,10-20H2,1-8H3,(H,49,50)/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 | CC(=O)N[C@H]1[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)[C@@H]7C[C@]6(C(=O)O7)[C@H](O)C[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C48H75NO17/c1-21(50)49-32-36(57)35(56)26(20-62-41-38(34(55)25(52)19-61-41)66-40-37(58)33(54)24(51)18-60-40)63-39(32)64-30-12-13-45(6)27(44(30,4)5)11-14-46(7)28(45)10-9-22-23-15-43(2,3)31-17-48(23,42(59)65-31)29(53)16-47(22,46)8/h9,23-41,51-58H,10-20H2,1-8H3,(H,49,50)/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:21](=[N:49][C@@H:32]1[C@@H:36]([OH:57])[C@H:35]([OH:56])[C@@H:26]([CH2:20][O:62][C@H:41]2[C@H:38]([O:66][C@H:40]3[C@H:37]([OH:58])[C@@H:33]([OH:54])[C@H:24]([OH:51])[CH2:18][O:60]3)[C@@H:34]([OH:55])[C@@H:25]([OH:52])[CH2:19][O:61]2)[O:63][C@H:39]1[O:64][C@H:30]1[CH2:12][CH2:13][C@@:45]2([CH3:6])[C@@H:27]([CH2:11][CH2:14][C@:46]3([CH3:7])[C@@H:28]2[CH2:10][CH:9]=[C:22]2[C@@H:23]4[CH2:15][C:43]([CH3:2])([CH3:3])[C@@H:31]5[CH2:17][C@@:48]4([C@H:29]([OH:53])[CH2:16][C@:47]23[CH3:8])[C:42](=[O:59])[O:65]5)[C:44]1([CH3:4])[CH3:5])[OH:50] |
|