| Properties | Image |
|---|
| MNX_ID | MNXM102811 |
 |
| reference | chebi:65429 |
| formula | C47H78O18 |
| global charge | 0 |
| mol weight | 931.123 |
| InChIKey | QMDCUVOUEVYVPH-CDLHYRBUSA-N |
| InChI | InChI=1S/C47H78O18/c1-41(2)25-7-11-44(5)26(8-12-47-27-15-42(3,20-50)13-14-46(27,21-60-47)28(51)16-45(44,47)6)43(25,4)10-9-29(41)64-40-37(65-39-36(58)34(56)31(53)23(18-49)62-39)32(54)24(19-59-40)63-38-35(57)33(55)30(52)22(17-48)61-38/h22-40,48-58H,7-21H2,1-6H3/t22-,23-,24+,25+,26-,27-,28-,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,42+,43+,44-,45+,46-,47+/m1/s1 |
| SMILES | CC1(C)[C@@H](O[C@@H]2OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3CC[C@]45OC[C@@]6(CC[C@](C)(CO)C[C@H]64)[C@H](O)C[C@@]5(C)[C@]3(C)CC[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C47H78O18/c1-41(2)25-7-11-44(5)26(8-12-47-27-15-42(3,20-50)13-14-46(27,21-60-47)28(51)16-45(44,47)6)43(25,4)10-9-29(41)64-40-37(65-39-36(58)34(56)31(53)23(18-49)62-39)32(54)24(19-59-40)63-38-35(57)33(55)30(52)22(17-48)61-38/h22-40,48-58H,7-21H2,1-6H3/t22-,23-,24+,25+,26-,27-,28-,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,42+,43+,44-,45+,46-,47+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:41]1([CH3:2])[C@@H:25]2[CH2:7][CH2:11][C@:44]3([CH3:5])[C@H:26]([CH2:8][CH2:12][C@@:47]45[C@@H:27]6[CH2:15][C@@:42]([CH3:3])([CH2:20][OH:50])[CH2:13][CH2:14][C@:46]6([CH2:21][O:60]4)[C@H:28]([OH:51])[CH2:16][C@@:45]35[CH3:6])[C@@:43]2([CH3:4])[CH2:10][CH2:9][C@@H:29]1[O:64][C@H:40]1[C@H:37]([O:65][C@H:39]2[C@H:36]([OH:58])[C@@H:34]([OH:56])[C@H:31]([OH:53])[C@@H:23]([CH2:18][OH:49])[O:62]2)[C@@H:32]([OH:54])[C@@H:24]([O:63][C@H:38]2[C@H:35]([OH:57])[C@@H:33]([OH:55])[C@H:30]([OH:52])[C@@H:22]([CH2:17][OH:48])[O:61]2)[CH2:19][O:59]1 |
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