| Properties | Image |
|---|
| MNX_ID | MNXM48110 |
 |
| reference | chebi:4002 |
| formula | C47H80O18 |
| global charge | 0 |
| mol weight | 933.139 |
| InChIKey | JDYWIMCSAUNOHC-OOLFRTMQSA-N |
| InChI | InChI=1S/C47H80O18/c1-21(8-11-28(50)42(3,4)59)30-24(63-41-38(58)35(55)33(53)25(64-41)18-61-39-37(57)34(54)31(51)22(2)62-39)16-45(7)27-10-9-26-43(5,20-48)29(65-40-36(56)32(52)23(49)17-60-40)12-13-46(26)19-47(27,46)15-14-44(30,45)6/h21-41,48-59H,8-20H2,1-7H3/t21-,22+,23+,24+,25-,26+,27+,28+,29+,30?,31+,32+,33-,34-,35+,36-,37-,38-,39-,40+,41-,43-,44-,45+,46-,47+/m1/s1 |
| SMILES | C[C@H](CC[C@H](O)C(C)(C)O)C1[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C47H80O18/c1-21(8-11-28(50)42(3,4)59)30-24(63-41-38(58)35(55)33(53)25(64-41)18-61-39-37(57)34(54)31(51)22(2)62-39)16-45(7)27-10-9-26-43(5,20-48)29(65-40-36(56)32(52)23(49)17-60-40)12-13-46(26)19-47(27,46)15-14-44(30,45)6/h21-41,48-59H,8-20H2,1-7H3/t21-,22+,23+,24+,25-,26+,27+,28+,29+,30?,31+,32+,33-,34-,35+,36-,37-,38-,39-,40+,41-,43-,44-,45+,46-,47+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:21]([CH2:8][CH2:11][C@@H:28]([C:42]([CH3:3])([CH3:4])[OH:59])[OH:50])[CH:30]1[C@@H:24]([O:63][C@H:41]2[C@H:38]([OH:58])[C@@H:35]([OH:55])[C@H:33]([OH:53])[C@@H:25]([CH2:18][O:61][C@H:39]3[C@H:37]([OH:57])[C@H:34]([OH:54])[C@@H:31]([OH:51])[C@H:22]([CH3:2])[O:62]3)[O:64]2)[CH2:16][C@@:45]2([CH3:7])[C@@H:27]3[CH2:10][CH2:9][C@H:26]4[C@@:43]([CH3:5])([CH2:20][OH:48])[C@@H:29]([O:65][C@H:40]5[C@H:36]([OH:56])[C@@H:32]([OH:52])[C@@H:23]([OH:49])[CH2:17][O:60]5)[CH2:12][CH2:13][C@@:46]45[CH2:19][C@@:47]35[CH2:15][CH2:14][C@:44]12[CH3:6] |
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