| Properties | Image |
|---|
| MNX_ID | MNXM42884 |
 |
| reference | keggC:C17802 |
| formula | C47H78O19 |
| global charge | 0 |
| mol weight | 947.122 |
| InChIKey | YDELUYNKSQLCJK-WJFBLDTJSA-N |
| InChI | InChI=1S/C47H78O19/c1-41(2)26(64-38-33(57)28(52)21(51)18-60-38)9-11-47-19-46(47)13-12-43(5)36(45(7)10-8-27(65-45)42(3,4)66-40-35(59)32(56)30(54)24(17-49)63-40)20(50)15-44(43,6)25(46)14-22(37(41)47)61-39-34(58)31(55)29(53)23(16-48)62-39/h20-40,48-59H,8-19H2,1-7H3/t20-,21+,22-,23+,24+,25-,26-,27-,28-,29+,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40-,43+,44-,45+,46-,47+/m0/s1 |
| SMILES | CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C47H78O19/c1-41(2)26(64-38-33(57)28(52)21(51)18-60-38)9-11-47-19-46(47)13-12-43(5)36(45(7)10-8-27(65-45)42(3,4)66-40-35(59)32(56)30(54)24(17-49)63-40)20(50)15-44(43,6)25(46)14-22(37(41)47)61-39-34(58)31(55)29(53)23(16-48)62-39/h20-40,48-59H,8-19H2,1-7H3/t20-,21+,22-,23+,24+,25-,26-,27-,28-,29+,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40-,43+,44-,45+,46-,47+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:41]1([CH3:2])[C@@H:26]([O:64][C@H:38]2[C@H:33]([OH:57])[C@@H:28]([OH:52])[C@H:21]([OH:51])[CH2:18][O:60]2)[CH2:9][CH2:11][C@:47]23[CH2:19][C@:46]24[CH2:13][CH2:12][C@:43]2([CH3:5])[C@@H:36]([C@@:45]5([CH3:7])[CH2:10][CH2:8][C@@H:27]([C:42]([CH3:3])([CH3:4])[O:66][C@H:40]6[C@H:35]([OH:59])[C@@H:32]([OH:56])[C@H:30]([OH:54])[C@@H:24]([CH2:17][OH:49])[O:63]6)[O:65]5)[C@@H:20]([OH:50])[CH2:15][C@@:44]2([CH3:6])[C@@H:25]4[CH2:14][C@H:22]([O:61][C@H:39]2[C@H:34]([OH:58])[C@@H:31]([OH:55])[C@H:29]([OH:53])[C@@H:23]([CH2:16][OH:48])[O:62]2)[C@@H:37]13 |
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