| Properties | Image |
|---|
| MNX_ID | MNXM107421 |
 |
| reference | chebi:69310 |
| formula | C49H84O19 |
| global charge | 0 |
| mol weight | 977.192 |
| InChIKey | OISDMADOIFBDNZ-XIWGVEJXSA-N |
| InChI | InChI=1S/C49H84O19/c1-22(2)49(21-62-41-38(60)35(57)32(54)25(18-50)63-41)16-15-48(8,68-49)31-23-9-10-29-45(5)13-12-30(44(3,4)28(45)11-14-46(29,6)47(23,7)17-24(31)53)66-43-40(37(59)34(56)27(20-52)65-43)67-42-39(61)36(58)33(55)26(19-51)64-42/h22-43,50-61H,9-21H2,1-8H3/t23-,24-,25-,26-,27-,28+,29-,30+,31-,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,45+,46-,47-,48+,49-/m1/s1 |
| SMILES | CC(C)[C@]1(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@](C)([C@H]2[C@H](O)C[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@]23C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C49H84O19/c1-22(2)49(21-62-41-38(60)35(57)32(54)25(18-50)63-41)16-15-48(8,68-49)31-23-9-10-29-45(5)13-12-30(44(3,4)28(45)11-14-46(29,6)47(23,7)17-24(31)53)66-43-40(37(59)34(56)27(20-52)65-43)67-42-39(61)36(58)33(55)26(19-51)64-42/h22-43,50-61H,9-21H2,1-8H3/t23-,24-,25-,26-,27-,28+,29-,30+,31-,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,45+,46-,47-,48+,49-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:22]([CH3:2])[C@:49]1([CH2:21][O:62][C@H:41]2[C@H:38]([OH:60])[C@@H:35]([OH:57])[C@H:32]([OH:54])[C@@H:25]([CH2:18][OH:50])[O:63]2)[CH2:16][CH2:15][C@@:48]([CH3:8])([C@@H:31]2[C@H:23]3[CH2:9][CH2:10][C@@H:29]4[C@@:45]5([CH3:5])[CH2:13][CH2:12][C@H:30]([O:66][C@H:43]6[C@H:40]([O:67][C@H:42]7[C@H:39]([OH:61])[C@@H:36]([OH:58])[C@H:33]([OH:55])[C@@H:26]([CH2:19][OH:51])[O:64]7)[C@@H:37]([OH:59])[C@H:34]([OH:56])[C@@H:27]([CH2:20][OH:52])[O:65]6)[C:44]([CH3:3])([CH3:4])[C@@H:28]5[CH2:11][CH2:14][C@@:46]4([CH3:6])[C@:47]3([CH3:7])[CH2:17][C@H:24]2[OH:53])[O:68]1 |
|